DrugBank Drug Targets Dataset

Name: DrugBank Drug Targets
Creator: Ma'ayan Laboratory of Computational Systems Biology
Keywords: physical interactions

Description	Sets of proteins targeted by drugs by manual literature curation
Measurement	association by literature curation
Association	protein-drug associations by manual literature curation
Category	physical interactions
Resource	DrugBank
Citation(s)	Law, V et al. (2014) DrugBank 4.0: shedding new light on drug metabolism. Nucleic Acids Res. 42:D1091-7. Wishart, DS et al. (2006) DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res. 34:D668-72.
Last Updated	2015 Apr 06
Stats	2368 genes 4928 drugs 15261 gene-drug associations

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drug Gene Sets

4928 sets of interacting proteins for drugs from the curated DrugBank Drug Targets dataset.

Gene Set	Description
2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol
Ephedra
2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE	A naphthothiazole that has formula C14H9NO7S.
Indecainide
N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
N-(Allyloxycarbonyl)-4-[N-(Carboxy-Formyl)-2-(Benzoic Acid)-Amino]-L-Phenylalaninyl-Amino-Butyloxy-(6-Hydroxy-Benzoic Acid Methyl Ester)
Caffeine	A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee.
1-(biphenyl-4-ylmethyl)-1H-imidazole
3-Methylfentanyl	The monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 3-methyl-N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.
Dalfampridine
Inositol 1,3,4,5-Tetrakisphosphate
Atenolol	An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.
WX-UK1
3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL
GV1001
Butanoic Acid	A four-carbon straight-chain saturated fatty acid.
2,4,6-Triaminoquinazoline
Gemfibrozil	An aromatic ether that has formula C15H22O3.
S-8184
Dydrogesterone
3-Bromo-7-Nitroindazole
AST-120
Fenoprofen	Propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding.
Pipotiazine
Se-Ethyl-Isoselenourea
Enflurane	An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups.
Decanoic Acid
(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one
2,6-dibromo-4-phenoxyphenol
Conivaptan
Omapatrilat
2-(2-Hydroxy-Phenyl)-3h-Benzoimidazole-5-Carboxamidine
4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate
Oxymorphone
CRA_10991
Glycodiazine
Tacrine
Diphemanil Methylsulfate	The alkene resulting from the formal Wittig olefination of benzophenone and 1,1-dimethyl-4-bromopiperidinium methylsulfate. A quaternary ammonium anticholinergic, it binds muscarinic acetycholine receptors and thereby decreases secretory excretion of stomach acids, saliva and sweat, It is used topically in the treatment of hyperhidorsis (excessive sweating).
Methazolamide
Tetrabutylammonium Ion
(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
10-CF3C(OH)2-DDACTHF
(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
Glutathione
2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine
CRA_17693
Fudp
Butriptyline
L-Arginine	An L-alpha-amino acid that is the L-isomer of arginine.
WRR-112
4-Deoxy-Alpha-D-Glucose
Gliclazide
(4-sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-yl-ethyl) ester
EP-2104R
(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
Aspartate Beryllium Trifluoride
Sulindac	A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions.
Cholic Acid	A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.
Masoprocol
(2S)-2-(1H-indol-3-yl)pentanoic acid
Sparfloxacin
Phenobarbital	A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.
3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid
Icodextrin
2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL
Nitrofurantoin	An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a (5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.
Ezogabine
Insulin, porcine
7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID
Lisinopril	A dipeptide that has formula C21H31N3O5.
Icosapent
REV131
NPI 32101
Echothiophate
Sulfisoxazole	A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.
4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
(S)-Hmg-Coa
O-Acetylserine
Enoximone
4-O-(4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Beta-D-Lyxo-Hexopyranosyl)-Alpha-D-Erythro-Hexopyranose
PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE
Tiagabine
RU78783
CRA_9785
5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine
O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE
Alpha-D-Glucopyranosyl-2-Carboxylic Acid Amide
(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE
Aldosterone	A pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney.
Phosphothiophosphoric Acid-Adenylate Ester
N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Pimozide
L-N(Omega)-Nitroarginine-(4r)-Amino-L-Proline Amide
(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE
tributylstannanyl
N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide
[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE
N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Maprotiline
Phosphonothreonine
Tamibarotene	A tetralin that has formula C22H25NO3.
1-Methylimidazole
Enalkiren	A peptide that has formula C35H56N6O6.
dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SU4984
Amphetamine	An amphetamine, the parent of the class of amphetamines, having the structure 1-phenylpropan-2-amine. It exists as a racemate.
6-Hydroxy-7,8-Dihydro Purine Nucleoside
N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE	An oxazolopyridine that has formula C22H23F2N7O.
5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide
Tinzaparin
D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate
L-Alpha-Glycerophosphorylserine
3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Amoxicillin	A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.
Cyclosporine
Linagliptin
(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one
4-Nitrophenyl Phosphate	An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.
dioxothiomolybdenum(VI) ion
Sofalcone
ECGONINE METHYL ESTER	The O-debenzoyl analogue of cocaine.
[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
Meta-Nitro-Tyrosine
Amperozide
N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
ZK-805623
Purine Riboside-5'-Monophosphate
L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S
Dronedarone
2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
4,6-Dideoxy-4-Amino-Alpha-D-Glucose
2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Mycophenolic acid
Trifluoperazine	A member of the class of phenothiazines that is phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.
Nortriptyline	An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.
Methylprednisolone
Epinephrine
Flucloxacillin	A penicillin compound having a 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido] side-chain.
N-Acetyl Serotonin	A member of the class of hydroxyindoles that is the N-acetyl derivative of serotonin.
Enoxacin
9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE
1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE
4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid
Imatinib
{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE	A 1,3-thiazole that has formula C18H17N3O3S.
Ajmaline
Thioridazine	A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.
(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE
N-(biphenyl-4-ylsulfonyl)-D-leucine
Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
S-Octylglutathione
2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
Diazepam	A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.
4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol
3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE	A pyridinecarboxamide that has formula C14H16N4O2S.
Chlormerodrin	Urea in which one of the hydrogens is substituted by a 3-chloromercury-2-methoxyprop-1-yl group. It was formerly used as a diuretic, but more potent and less toxic drugs are now available. Its radiolabelled ((197)Hg, (203)Hg) forms were used in diagnostic aids in renal imaging and brain scans.
CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE
1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
Acetyldigitoxin
N7-Methyl-Guanosine-5'-Monophosphate
SP4160
Somatropin recombinant
Mestranol
N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide
Flupirtine
(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE
Nalbuphine	An organic heteropentacyclic compound that has formula C21H27NO4.
[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium
5-Mercapto-2-Nitro-Benzoic Acid
3-Phosphoglyceric Acid	A monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle.
Thymidine-5'-Triphosphate
Guanosine-5'-Diphosphate-Rhamnose
N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE
Nilotinib
Mercaptopurine	A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6.
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]
Alpha-Linolenic Acid	A linolenic acid with cis-double bonds at positions 9, 12 and 15. Shown to have an antithrombotic effect.
Flumethasone Pivalate	A pivalate ester that has formula C27H36F2O6.
N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
3-Deoxyguanosine	A 3'-deoxyribonucleoside that has formula C10H13N5O4.
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Potassium	An alkali metal atom that has formula K.
Pseudoephedrine	A secondary amine that has formula C10H15NO.
CRA_10655
Troglitazone
1-Deoxy-1-Methoxycarbamido-Beta-D-Gluco-2-Heptulopyranosonamide
MDX-018
9,10-Deepithio-9,10-Didehydroacanthifolicin
N-Pyridoxyl-Glycine-5-Monophosphate
4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide
Clodronate
AGRO100
(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE
Foscarnet
5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid
5-Phosphoarabinonic Acid
1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE
Bupranolol
(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE
Para-Coumaric Acid
Testosterone	An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5..
Licofelone
4r-Fluoro-N6-Ethanimidoyl-L-Lysine
Phenelzine
(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE
Triamterene
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine
Tacrolimus
Mesobiliverdin Iv Alpha
Bufuralol	A benzofuran that has formula C16H23NO2.
Methylethylamine
Moclobemide
[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
Metaraminol
Reidispongiolide A
Pregnenolone
4'-Deaza-1'-Aza-2'-Deoxy-1'-(9-Methylene)-Immucillin-H, (3r,4r)-N-[9-Deazahypoxanthin-9-Yl)Methyl]-4-Hydroxymethyl-Pyrrolidin-3-Ol
DG031
Nitrazepam
N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE	A sulfonamide that has formula C17H12F9NO3S.
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
Desflurane
4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A pyrrolidinone that has formula C14H16N2O5.
Cefepime	A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
Methoxamine
Epothilone D	An epothilone that has formula C27H41NO5S.
Fludarabine
3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER
Tolcapone
Formoterol
Daclizumab
D-Gluconhydroximo-1,5-Lactam
Dnqx
N-Octane
Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone
(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol
Erlotinib
N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine
3-Methylpyridine	A methylpyridine that is pyridine substituted by a methyl group at position 3.
Coagulation Factor IX
Frovatriptan
3,5,3',5'-Tetrachloro-Biphenyl-4,4'-Diol
Vasopressin	A family of cyclic nonapeptide hormones found in most mammals. Synthesised in the hypothalamus and stored in the post-pituitary, vasopressins play a key role in homeostasis, particularly in regulating the body's water content. Together with the similar neuropeptide oxytocin, they are believed to influence social cognition and behaviour.
AZD6140
Fusicoccin	An acetate ester that has formula C36H56O12.
Pentagastrin
Arginineamide
Aclidinium
Degarelix
Oxyphencyclimine
AC220
ND7001
(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE
CP-271485
RU79256
(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
Tubocurarine
ARC1779
Oxyphenbutazone
N-{1-[5-(1-Carbamoyl-2-Mercapto-Ethylcarbamoyl)-Pentylcarbamoyl]-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethyl}-3-{2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Acetylamino}-Succinamic Acid
Isothipendyl
Estrone	A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17.
2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE
Deoxy-Bigchap
3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol
N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
N-[O-Phosphono-Pyridoxyl]-Isoleucine
Monoisopropyl Ester Phosphonic Acid Group
Propidium	A phenanthridine that has formula C27H34N4.
Dalteparin
Tranexamic Acid
4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE
[(1e)-4-Phenylbut-1-Enyl]Benzene
1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
(4-ETHYLPHENYL)SULFAMIC ACID
5-HEPTYL-6-HYDROXY-1,3-BENZOTHIAZOLE-4,7-DIONE	A benzothiazole that has formula C14H17NO3S.
3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate
4-Methoxyamphetamine
3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE	A member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which a hydrogen at the 3 pro-S position is replaced by a 3-oxododecanamido group.
D-[(Amino)Carbonyl]Phenylalanine
Lomitapide	A member of the class of benzamides obtained by formal condensation of the carboxy group of 4'-(trifluoromethyl)biphenyl-2-carboxylic acid with the primary amino group of 9-[4-(4-aminopiperidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide. Used (as its mesylate salt) as a complement to a low-fat diet and other lipid-lowering treatments in patients with homozygous familial hypercholesterolemia.
(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
Caprylic acid
Lipoic Acid	A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.
Canaline	An alpha-amino acid that has formula C4H10N2O3.
TNX-901
Cimicoxib	An imidazole substituted at positions 1, 4 and 5 by 4-aminosulfonylphenyl, chloro and 3-fluoro-4-methyoxyphenyl groups respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs.
Ergotamine	A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.
MF101
6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
Cefotetan	A semi-synthetic cephalosporin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms.
Bortezomib
Cefpiramide	A third-generation cephalosporin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and (R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a broad spectrum of antibacterial activity.
Argifin
SP-01A
Propylhexedrine
2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Piclamilast	A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine.
H TYPE II TRISACCHARIDE
2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide
5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid	A D-proline derivative that has formula C9H15NO3S.
Exenatide
4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
NOX-700
Ciclesonide
(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL
(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide
9-Deazaguanine
CP-4055
SCV-07
Glycopyrrolate
Genistein	7-Hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties.
Alprazolam	A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.
Glutathione S-(2,4 Dinitrobenzene)
2-chloro-5-nitro-N-phenylbenzamide
Naproxen	A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.
Propylthiouracil
N-[4-(benzyloxy)phenyl]glycinamide
IMIDAZOPYRIDAZIN 1
(2s)-Pyrrolidin-2-Ylmethylamine
SO-101
Nabumetone
(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE
3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid
N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
Coenzyme A	A thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit.
Remifentanil	A piperidinecarboxylate ester that is methyl piperidine-4-carboxylate in which the hydrogen attached to the nitrogen is substituted by a 3-methoxy-3-oxopropyl group and the hydrogen at position 4 is substituted the nitrogen of N-propanoylaniline.
Methoxy arachidonyl fluorophosphonate
1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
5-Thio-a/B-D-Mannopyranosylamine
2-(N-Morpholino)-Ethanesulfonic Acid	A Good's buffer substance, pKa = 6.15 at 20 degreeC.
Oxamic Acid	The monoamide of oxalic acid.
(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
Carbamazepine	A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.
Nepafenac
Mercury Diiodide	A mercury coordination entity composed of mercury and iodine with formula HgI2.
N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
Lauryl Dimethylamine-N-Oxide
Bicine	A Good's buffer substance that is N,N-bis(2-hydroxyethyl)glycine or its zwitterionic/carboxylate form.
Phenylpropanolamine
R115777
Tetrodotoxin	A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels.
Riboflavin Monophosphate
2'-Deoxyguanosine-5'-Diphosphate
[3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid
2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL
SR 121463
4-Morpholin-4-Yl-Piperidine-1-Carboxylic Acid [1-(3-Benzenesulfonyl-1-Propyl-Allylcarbamoyl)-2-Phenylethyl]-Amide	A L-phenylalanine derivative that has formula C31H42N4O5S.
Almotriptan
Rhodamine 6g	A rhodamine 6G(1+) that has formula C28H31ClN2O3.
Tetradecane	A straight chain alkane consisting of 14 carbon atoms.
ADX-10061
Desloratadine	Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness.
N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Vinylglycine
Cinalukast	2,2-Diethylsuccinanilic acid substituted at a meta- position by an (E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl group. It selectively antagonizes leukotriene D4 at the cysteinyl leukotriene receptor, in the human airway, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. It is used in the treatment of asthma.
Mevastatin	A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group and in which the lactone moiety has been hydrolysed to the corresponding delta-hydroxy-carboxylic acid. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals.
4-(4-FLUOROBENZYL)PIPERIDINE	A piperidine that has formula C12H16FN.
Trimetrexate
Beta-Alanine
Eplerenone	A steroid acid ester that has formula C24H30O6.
FG-4592
D-Lactic Acid
2-Aminoethanimidic Acid
N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
N-(4-Methoxybenzyl)-N'-(5-Nitro-1,3-Thiazol-2-Yl)Urea
3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE
Sulfinpyrazone	A pyrazolidine that has formula C23H20N2O3S.
2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE
N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE
1,4-Dideoxy-O2-Sulfo-Glucuronic Acid
Zalcitabine
Adenosine Monotungstate
2,3,4,5,6-Pentafluorobenzyl Alcohol	An organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6.
1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE
3-(4-HYDROXY-PHENYL)PYRUVIC ACID
histamine dihydrochloride
(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
Myricetin	A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants.
Bevantolol	A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A beta1 adrenoceptor antagonist, it has been shown to be as effective as other beta-blockers for the treatment of angina pectoris and hypertension.
DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE
Canfosfamide
Palonosetron
SYM001
Menthol
Iloprost
3,5-Dichloro-4-[(4-Hydroxy-3-Isopropylphenoxy)Phenylacetic Acid
2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide
Pindolol	A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol.
I-5
Beraprost
3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
Myristoyl-Coa	A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of myristic acid.
Fluconazole	A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It has been shown to exhibit antifungal activity.
(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
THIO-ATPA
N-Propyl Isocyanide
3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine
3',5'-Dinitro-N-Acetyl-L-Thyronine
(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE
Para-Toluene Sulfonate
Entacapone
RU78262
5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine
8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine
Amlexanox
Ganciclovir	An oxopurine that is guanine substituted by a [(1,3-dihydroxypropan-2-yl)oxy]methyl group at position 9. Ganciclovir is an antiviral drug used to treat or prevent AIDS-related cytomegalovirus infections.
(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide
(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
[3-(1,3,2-Dioxaborolan-2-Yloxy)Propyl]Guanidine
3,5-dibromobiphenyl-4-ol
Quinacrine
1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
Sitaxentan
Iloperidone
SB-559448
Chlorphenesin
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
L-Thiocitrulline
Undecyl-Phosphinic Acid Butyl Ester
5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
1-(2-Deoxy-2-Fluoro-3-O-Phosphono-Beta-L-Ribofuranosyl)Pyrimidine-2,4(1h,3h)-Dione
Sorbitol 6-phosphate
6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE
Ethyl Isocyanide
[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid	A 1,3,4-oxadiazole that has formula C8H5N3O6S.
N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE
R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
Halazepam
Tenofovir
N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide
3-Methylthiofentanyl	A piperidine compound having a (2-thienyl)ethyl substituent at the 1-position, a methyl group at the 3-position and an N-phenylpropanamido group at the 4-position.
7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID
Sodium Tetradecyl Sulfate
Norelgestromin
Cycloleucine
Fluorescein
Flucytosine	An organofluorine compound that has formula C4H4FN3O.
Fluocinolone Acetonide	A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders.
Triflusal
S-4-Nitrobutyryl-Coa
Dodecyl Sulfate
3'-Uridinemonophosphate
N-Butyl-N'-Hydroxyguanidine
Ethanolamine Oleate
L-Glutamic Acid	An optically active form of glutamic acid having L-configuration.
Trichlormethiazide
Salsalate
N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE
Uridine-5'-Diphosphate
2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID
2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol
Ketazolam
(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]
ROX-888
Beta-Hydroxyasparagine
5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
Metronidazole	A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.
N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide	A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydropyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzoic acid with the amino group of cyclopropylamine.
REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE
4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE
MLN8237
6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One
2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
N-Tridecanoic Acid
Hydroxyproline	A proline derivative that is proline substituted by at least one hydroxy group.
(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide
3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Dyphylline	An oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs.
Insulin Aspart
Felbamate
Regadenoson
Phenserine
Penbutolol
6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER
(1S,3S,5S)-2-{(2S)-2-amino-2-[(1R,3S,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]acetyl}-2-azabicyclo[3.1.0]hexane-3-carbonitrile
Dimethyltryptamine
2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE
beta-L-fucose	A L-fucopyranose with a beta-configuration at the anomeric position.
Sitagliptin	A triazolopyrazine that exhibits hypoglycemic activity.
Ceftazidime	A cephalosporin bearing pyridinium-1-ylmethyl and {[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
Lanosterol	A tetracyclic triterpenoid that is lanosta-8,24-diene substituted by a beta-hydroxy group at position 3. It is the compound from which all steroids are derived.
N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
Quercetin	A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions.
Gallium nitrate
Tofisopam
Pramlintide
Ipilimumab
Cidofovir
1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE	A pyridylpiperidine that has formula C23H29ClN4O2S.
2-Deoxy-2-Amino Glucitol-6-Phosphate
(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
S-(D-Carboxybutyl)-L-Homocysteine
Valganciclovir
(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine
Tafluprost
Dapagliflozin
3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide
(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID
Prednicarbate
Trabectedin	A tetrahydroisoquinoline alkaloid obtained from a Caribbean tunicate Ecteinascidia turbinata. Used for the treatment of soft tissue sarcoma and relapsed ovarian cancer.
5'-Guanosine-Diphosphate-Monothiophosphate
L-Aspartic Acid	The L-enantiomer of aspartic acid.
Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
Cycrimine
LATRUNCULIN B	A macrolide consisting of a 14-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica.
Dabrafenib	An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma.
(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID
pimagedine HCl
Aminophenazone	A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties.
5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE
Glycerol Phenylbutyrate
5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE
Ethopropazine
2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide
Flunarizine
(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine
Hemi-Babim
Vigabatrin
3r-Hydroxydecanoyl-Coa
HYDROXYFASUDIL
7-AMINO-4-METHYL-CHROMEN-2-ONE
Triamcinolone	A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.
7-[4-(Dimethylamino)Phenyl]-N-Hydroxy-4,6-Dimethyl-7-Oxo-2,4-Heptadienamide
Digitoxin
2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE
4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
AZD3409
8,9,10-Trihydroxy-7-Hydroxymethyl-3-Methyl-6-Oxa-1,3-Diaza-Spiro[4.5]Decane-2,4-Dione
N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide
6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Milnacipran
Chlorthalidone	An isoindole that has formula C14H11ClN2O4S.
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
Isocarboxazid
Nimodipine	A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.
4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide	A pyrrolopyrazine that has formula C22H32N6O5S.
Phosphoaminophosphonic Acid Guanylate Ester
(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Tryptophanyl-5'amp
XEN2174
Methylergometrine
Cephaloglycin
methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
Amifostine	An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy.
1-Deoxy-1-Methoxycarbamido-Beta-D-Glucopyranose
Alpha-Difluoromethylornithine
Temocapril
Ingenol Mebutate
Lidocaine	The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.
Propericiazine
Nafarelin
Ursodeoxycholic acid	A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.
6-hydroxydopa quinone
ADL 10-0101
[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid
4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID
N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE
PLX4032
Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone
Pentamidine	A diether compound consisting of pentane-1,5-diol with both hydroxyls bearing 4-amidinophenyl groups.
N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE
Diisopropylphosphono Group
Moexipril
(S)-tacrine(10)-hupyridone
Formic Acid
Renzapride
Azithromycin	A macrolide antibiotic useful for the treatment of bacterial infections.
(2S)-2-HYDROXYOCTANOIC ACID
difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron
Mdl-29951
7-Nitroindazole
4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid
Clofedanol
Nesiritide
[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
Monothioglycerol	A thiol that is glycerol in which one of the primary hydroxy groups is replaced by a thiol group.
Pertuzumab
N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
INCB9471
Hirulog
(S)-blebbistatin	The (S)-enantiomer of blebbistatin.
Apixaban	A pyrazolopyridine that is 7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide substituted at position 1 by a 4-methoxyphenyl group and at position 6 by a 4-(2-oxopiperidin-1-yl)phenyl group. It is used for the prevention and treatment of thromboembolic diseases.
N-Acetyl-Serine
Carbachol	An ammonium salt that has formula C6H15N2O2.Cl.
2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium	A pyrimidinium salt that has formula C14H19N4O3.
Muromonab
2-(Oxalyl-Amino)-Benzoic Acid
Zileuton
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
S-(N-Hydroxy-N-Iodophenylcarbamoyl)Glutathione
Propranolol	A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.
Isotretinoin	A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.
6-Chloropurine Riboside, 5'-Monophosphate
HGS-TR2J
Glutethimide
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine
L-Ornithine	An optically active form of ornithine having L-configuration.
Fluoro-Phosphite Ion
IMC-1C11
2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide
Cytidine-3'-Monophosphate
undecan-2-one	A dialkyl ketone with methyl and nonyl as the two alkyl groups.
Vemurafenib
Peginesatide
Insulin Lispro
CRA_23653
1-[4-(hydroxymethyl)phenyl]guanidine
6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID	An organic phosphonate and derivative of hexanoic acid and cognate transition state analogue of the esterase-like catalytic antibody D2.3.
Bicalutamide	A sulfone that is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism.
Methyl alpha-D-mannoside	A methyl mannoside having alpha-configuration at the anomeric centre.
Rifaximin
Amiloride	A monocarboxylic acid amide that is N-carbamimidoylpyrazine-2-carboxamide substituted by amino groups at positions 3 and 5 and a chloro group at position 6.
Phosphatidylethanolamine
1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
1,5-Bis(N-Benzyloxycarbonyl-L-Leucinyl)Carbohydrazide
Oxyphenonium
[(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester
(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE
Tasosartan
4-(2-AMINOETHYL)BENZENESULFONAMIDE
(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid
Ethanesulfonic Acid	An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is ethyl.
Amiodarone	A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.
Aeruginosin 98-B
N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE
Alpha-D-Fucose	A D-fucopyranose having alpha-configuration at its anomeric centre.
Guanidine	An aminocarboxamidine, the parent compound of the guanidines.
N-Acetylalanine
2-HYDROXY-3,5-DIIODOBENZOIC ACID
N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE
N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE
4-(2-aminoethyl)-2-ethylphenol
(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
Arcitumomab
N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
Rizatriptan	A tryptamine that has formula C15H19N5.
2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid
Tetrazolyl Histidine
Alpha-D-Glucose-6-Phosphate	A D-glucopyranose 6-phosphate where alpha-D-glucose is the sugar component.
N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
LJP 1082
3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE
Vilazodone
Sorbinil	An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring.
Edetic Acid
Hesperetin	A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position.
Methdilazine
Adenosine-3'-5'-Diphosphate
3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Busulfan
Chlorhexidine	A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.
Ergonovine
alpha-D-Xylopyranose	A D-xylopyranose that has formula C5H10O5.
2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE
(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione
4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID
2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide
(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE	A pyridylpiperidine that has formula C23H27ClN4O3S.
Succinic acid
Mephentermine
2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide
4-Oxosebacic Acid
Diminazene	A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.
Guanethidine
N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid	A L-leucine derivative that has formula C21H26N3O6P.
Benzocaine	A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.
3-pyridin-4-yl-1H-indazole
Arachidonic Acid	A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14.
S-(Methylmercury)-L-Cysteine
Tretinoin
[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID
Ethinyl Estradiol
9-Deazaadenine
S-Oxymethionine
Tiotropium
Tartronate
2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE
D-Proline	The D-enantiomer of proline.
(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid
5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol	A stilbenol that is 1,1'-ethane-1,2-diyldibenzene with hydroxy groups at positions 1, 3 and 4'.
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Estradiol	A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17.
Gonadorelin
4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID
RU78300
N-Omega-Hydroxy-L-Arginine
N-Ethylmaleimide	A member of the class of maleimides that is the N-ethyl derivative of maleimide.
1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine
N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE
N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide
VIR201
2-Ethoxyethanol
(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
Candesartan	A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.
Rifapentine
Spermidine	A triamine that is the 1,5,10-triaza derivative of decane.
(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
4-Methylpiperazin-1-Yl Carbonyl Group
L-DOPA	An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease
Erdosteine
Fructose-1,6-Diphosphate
Diphthamide	A quaternary ammonium ion that is the derivative of L-histidine having a 4-amino-4-oxo-3-(trimethylammonio)butyl group at the 2-position of the imidazole ring.
(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide
Ranolazine
Dihydroquinidine barbiturate
Naringenin	A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4'.
Rivastigmine
3-Methoxybenzamide
ED-71
2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
Voriconazole	A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.
Proparacaine
Denileukin diftitox
Alitretinoin
Tofacitinib
5-Chloro-6-[(2-Iminopyrrolidin-1-Yl)Methyl]Pyrimidine-2,4(1h,3h)-Dione
(4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium
Miglitol
Ximelagatran	A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted to the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.
6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea
Flumazenil	A 1,4-benzodiazepine that has formula C15H14FN3O3.
Tris(Hydroxyethyl)Aminomethane
Furosemide	A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.
Azelaic Acid	An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.
N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
Cisatracurium Besylate	The (1R,1'R,2R,2'R)-diastereoisomer of atracurium besylate. Commercial preparations of atracurium are mixtures of 10 stereoisomers, of which cisatracurium generally constitutes about 15%. Cisatracurium besylate is about 3 times more potent than the mixture of atracurium isomers as a neuromuscular blocking agent, and is used as a muscle relaxant for endotracheal intubation, to aid controlled ventilation, and in general anaesthesia.
N-Isopropyl-N'-Hydroxyguanidine
AC162352
5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
Nitrilotriacetic Acid	A NTA that has formula C6H9NO6.
7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
Thymidine-5'- Diphosphate
Streptokinase
Para-Mercury-Benzenesulfonic Acid
N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE
Dyclonine	N-Ethylpiperidine in which one of the hydrogens attached to the methyl group is substituted by a 4-butoxybenzoyl group.
ART-123
(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE	A pyridoindolecarboxamide that has formula C21H24N6O3S.
1-[N[(Phenylmethoxy)Carbonyl]-L-Leucyl-4-[[N/N-[(Phenylmethoxy)Carbonyl]-/Nl-Leucyl]Amino]-3-Pyrrolidinone/N
Mito-4509
5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid
Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine
5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone
(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Aplyronine A
16g
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CRA_1144
4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE	A thiazoloindole that has formula C21H15N5O3S2.
N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL
3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID
3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline
2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL	A furopyrimidine that has formula C22H21N3O4.
6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE	A purine that has formula C22H20ClN5.
Monobenzone
4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
Oxidized Glutathione Disulfide
Proellex
N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE
Cilostazol	A lactam that is 3,4-dihydroquinolin-2(1H)-one in which the hydrogen at position 6 is substiuted by a 4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy group.
Dasatinib
CYT997
3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine
Exemestane	A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer.
6-(4-Difluoromethoxy-3-Methoxy-Phenyl)-2h-Pyridazin-3-One
(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE
Aminocaproic Acid
FTY 720
Buclizine
Biopterin	A pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins.
Ecabet
{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID	A naphthothiazole that has formula C16H11NO9S.
Pemetrexed
Acetohexamide	An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group.
Heptabarbital	A barbiturate that has formula C13H18N2O3.
Vorinostat
3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
Bepridil
Oleic Acid	An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.
Xylometazoline
4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol
Calcipotriol	A seco-cholestane that has formula C27H40O3.
Cetrorelix
1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE
Teriflunomide
Soraphen A	A macrolide and an agent highly effective against plant-pathogenic fungi. It was extensively researched for agricultural use until it was discovered to be a teratogen.
1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide	A benzothiazole that has formula C8H8N2O3S2.
Nitric Oxide	A nitrogen oxide which is a free radical, each molecule of which consists of one nitrogen and one oxygen atom.
Levonorgestrel	A 17beta-hydroxy steroid that has formula C21H28O2.
APD791
Indomethacin
Bafilomycin B1
Ivermectin	A mixture consisting of >= 90% 22,23-dihydroavermectin B1a (R = Me) and <= 10% 22,23-dihydroavermectin B1b (R = H). A semi-synthetic derivative of abamectin, it is used as a broad-spectrum antiparasite medication, particularly against worms (except tapeworms), although it is also effective against most mites and some lice.
METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER
Phenformin
3,7,3',4'-TETRAHYDROXYFLAVONE
(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Isopentyl Pyrophosphate
Butyrylthiocholine
3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide
PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE
Adenosine-5'-Phosphosulfate
2',3'-Dideoxyadenosine-5'-Triphosphate
Saxagliptin
Cyclopentolate	A carboxylic ester resulting from the formal condensation of (1-hydroxycyclopentyl)(phenyl)acetic acid with N,N-dimethylethanolamine. A tertiary amine antimuscarinic with actions similar to atropine, it is used as its hydrochloride salt to produce mydriasis (excessive dilation of the pupil) and cycloplegia (paralysis of the ciliary muscle of the eye) for opthalmic diagnostic procedures. It acts more quickly than atropine and has a shorter duration of action.
Vardenafil	The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.
3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
Octanoyl-Coenzyme A
(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE
BETA-METHYLLACTOSIDE
Delta-Amino Valeric Acid
1,4-Dithio-Alpha-D-Mannose
Alpha-Methyl-N-Acetyl-D-Glucosamine
Alseroxylon
KB002
(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID
3,6,9,12,15-PENTAOXATRICOSAN-1-OL
Domperidone
3-(5-methoxy-1H-indol-3-yl)propanoic acid
8-Bromo-Adenosine-5'-Monophosphate
Clomipramine	A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.
Sertaconazole
1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE
(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE
N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Seocalcitol
Imino-Tryptophan
Liraglutide
(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Oxadiazole
Tirapazamine	A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4.
3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
Fluvastatin
Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester
Carbenoxolone
5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Halothane	A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position.
AT1391
Tetraethylammonium	A quaternary ammonium ion that has formula C8H20N.
N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A N-acylpiperidine that has formula C24H31N3O2.
N-Methyl-N-Propargyl-3-(2,4-Dichlorophenoxy)Propylamine
Difluprednate
Theobromine
Insulin Glulisine
Prilocaine	An amide-type local anaesthetic in which N-propyl-DL-alanine and 2-methylaniline have combined to form the amide bond.
(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
DECYL(DIMETHYL)PHOSPHINE OXIDE
Bivalirudin
(5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One	A pyridazinone that has formula C24H24IN3O2.
N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid
5-Phenylsulfanyl-2,4-Quinazolinediamine
2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol
659032
4-TERT-BUTYLBENZENESULFONIC ACID
CTA018
4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
Spironolactone	A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid
CYT006-AngQb
Dimetindene
Etonogestrel
Loxapine	A dibenzoxazepine that has formula C18H18ClN3O.
Arbaclofen
5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE	A thiadiazole that has formula C8H7ClFN5O4S3.
4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide
Thenoyltrifluoroacetone
Benzylpenicilloyl Polylysine	Poly-L-lysine (n > 40) in which 50-70% of the epsilon-amino groups are substituted with benzylpenicilloyl groups. It is used as a skin-testing reagent to detect immunoglobulin E antibodies in people with a history of penicillin allergy.
5'-O-(N-(L-Cysteinyl)-Sulfamoyl)Adenosine
3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE
Propantheline
4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE
7,8-dihydroxy-4-phenyl-2H-chromen-2-one
D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide
Dibenzofuran-4,6-Dicarboxylic Acid
N-(3-(Aminomethyl)Benzyl)Acetamidine
Prostaglandin G2	A prostaglandins G that has formula C20H32O6.
2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine	A pyridopyrimidine that has formula C19H24N6O3.
Aicar
1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL
9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol
Encainide
Tolazamide
N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID
(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
R411
2-Amino-Pentanoic Acid	An alpha-amino acid that is valeric acid which is substituted at position 2 by an amino group.
4,4'-cyclohexane-1,1-diyldiphenol
Ranibizumab
Aniracetam
Iproniazid
Rituximab
Deoxythymidine
N-(1-Adamantyl)-N'-(4-Guanidinobenzyl)Urea
Brimonidine	A quinoxaline derivative that has formula C11H10BrN5.
N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
RWJ-51084
Crofelemer
CRA_10950
Hadacidin	A monocarboxylic acid that is N-hydroxyglycine in which the hydrogen attached to the nitrogen is replaced by a formyl group. It was originally isolated from cultures of Penicillium frequentans.
2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)
2-Deoxy-2fluoro-Glucose
Gamma-Glutamyl[S-(2-Iodobenzyl)Cysteinyl]Glycine
Pyrazole	A monocyclic heteroarene that is a five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 2.
Linezolid
(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE
Celecoxib
SEBACIC ACID	An alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane.
6-Nitroindazole
Framycetin
N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
Cryptenamine
Myo-Inositol	An inositol having myo- configuration.
ZK-800270
Raltitrexed
Deslanoside
Adenosine-5'-Diphosphate Monothiophosphate
Olcegepant
Tegaserod
Mitomycin
2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose
Amylamine
Butethal
Dexmethylphenidate
Adenosine	A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond.
Dabigatran etexilate
4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINE
Vandetanib	A quinazoline that is 7-[(1-methylpiperidin-4-yl)methoxy]quinazoline bearing additional methoxy and 4-bromo-2-fluorophenylamino substituents at positions 6 and 4 respectively. Used for the treatment of symptomatic or progressive medullary thyroid cancer in patients with unresectable locally advanced or metastatic disease.
PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE	A hapten and transition state analogue containing phenylphosphonate and succinoylamino moieties.
NP-50301
Plasmin
Meta Vanadate	A vanadium oxoanion in which a central vanadium is divalently bound to two oxygens and monovalently bound to a hydroxide.
ISOTHIAZOLIDINONE ANALOG
Alpha-Phosphoribosylpyrophosphoric Acid
Allosamizoline
(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
3-Phenylpropylamine
Phenylethane Boronic Acid
4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID
Astemizole
THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE	A thienopyridine that has formula C21H19N5O3S2.
Nisoldipine
5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
6-Hydroxy-6-Methyl-Heptan-3-One
N-Butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6h-Cyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide	A 3-hydroxy steroid that has formula C34H55NO3.
Epirubicin
MP470
Etoricoxib
9-(5,5-Difluoro-5-Phosphonopentyl)Guanine
Beta-D-Glucopyranose Spirohydantoin
N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide
99mTc-ciprofloxacin
MYRISTIC ACID	A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.
Bethanechol	The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.
Guanidine-3-Propanol
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-
Adenosine monophosphate
Sertindole
(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide
5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID
2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID
Gamma-Carboxy-Glutamic Acid
1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID
Aceprometazine
Carbidopa	The hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa.
IDN-6556
SLV319
DG051
(2S)-2-(1H-indol-3-yl)hexanoic acid
Ulapualide A
Latanoprost	A prostaglandin Falpha that is the isopropyl ester prodrug of latanoprost free acid. Used in the treatment of open-angle glaucoma and ocular hypertension.
(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID
Oxaloacetate Ion
Carbenicillin
4-Iodopyrazole	An organoiodine compound that has formula C3H3IN2.
Tirofiban
NN344
Threonine Derivative	An amino acid derivative resulting from reaction of threonine at the amino group or the carboxy group, or from the replacement of any hydrogen of threonine by a heteroatom. The definition normally excludes peptides containing threonine residues.
(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL	A pyrrolopyrimidine that has formula C21H20N4O.
MLN-518
Udp-Glucuronic Acid
Hyoscyamine
Hydroxyacetic Acid	A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated.
CRA_9334
4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
Tesamorelin
3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium
Lutropin alfa
Dextromethorphan	An organic heterotetracyclic compound that is morphinan substituted by a methoxy group at position 3 and a methyl group at position 7. It is used as an antitussive drug for suppressing cough.
SP1049C
1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
S-P-Nitrobenzyloxycarbonylglutathione
BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE	An acetylenic compound that has formula C15H25N3O.
Phensuximide
Dapsone	A sulfone that is diphenylsulfone in which the hydrogen atom at the 4 position of each of the phenyl groups is substituted by an amino group. It is active against a wide range of bacteria, but is mainly employed for its actions against Mycobacterium leprae, being used as part of multidrug regimens in the treatment of all forms of leprosy.
Almitrine
2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol
Zuclopenthixol
Tolazoline
3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid
ADX-48621
Etorphine	An alcohol that has formula C25H33NO4.
1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA
N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
AMPA
Mafenide
3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide
RALOXIFENE CORE
1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid
5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE
O-Phosphoethanolamine	The ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain.
(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Rufinamide
N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
12-Phenylheme
Glyceraldehyde-3-Phosphate	An aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms.
Cephalexin	A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract.
TNX-355
DODECANESULFONATE ION
(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
Propiomazine
Bevacizumab
[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE
Flutamide	A (trifluoromethyl)benzene that has formula C11H11F3N2O3.
Alpha-ketoisovalerate
CRA_10656
N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
4-(N,N-Dimethylamino)Cinnamoyl-Coa
DX-88
D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide
Delta1-dihydrotestosterone	An anabolic steroid that differs from testosterone by having a 1,2-double bond instead of a 4,5-double bond in its A ring. A potent androgen with anabolic properties, it was legally sold as a prohormone in the U.S.A. until 2005, when it was reclassified as a Schedule III drug.
Griseofulvin	Antibiotic produced by Penicillium griseofulvum.
(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
1,2-Propanediol
Aleglitazar
Bosutinib
Cabazitaxel
Proflavine
2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid
9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine
4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide
CYT007-TNFQb
Toremifene
Hexafluronium
3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide
Buserelin
Pranlukast
Adenine
5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea
Metolazone
Everolimus
U-Pi-a-Pi
N-(3,5-dibromo-4-hydroxyphenyl)benzamide
Norfloxacin	A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.
4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
RPR128515
1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
Laevulinic Acid
4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE
Medrysone
NM-702
(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
LAX-101
IDD552
Risedronate
L-2-Amino-4-Methoxy-Cis-but-3-Enoic Acid	A dehydroamino acid that has formula C5H9N1O3.
S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
PPI-2458
N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA
3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	A maleimide that has formula C23H20N4O2.
XP13512
K-252a	A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a
Thiopental	A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.
Daunorubicin	A natural product found in Actinomadura roseola.
Chloramphenicol	An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions.
Ibutilide
(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)
PRO-542
Digoxin	Digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.
PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE
RU82197
2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
AN2728
1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone
Dezocine
6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE
Botulinum Toxin Type A
Ghavamiol
MCC	mutated in colorectal cancers\|This gene is a candidate colorectal tumor suppressor gene that is thought to negatively regulate cell cycle progression. The orthologous gene in the mouse expresses a phosphoprotein associated with the plasma membrane and membrane organelles, and overexpression of the mouse protein inhibits entry into S phase. Multiple transcript variants encoding different isoforms have been found for this gene. [provided by RefSeq, Jul 2008]
Naltrexone	An organic heteropentacyclic compound that is 4,5-epoxymorphinan-6-one substituted by a cyclopropylmethyl group at position 17 and hydroxy groups at positions 3 and 14. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.
(N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE
(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
Droperidol	An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon.
(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE	A triazolopyrazine that is a rigid cyclohexylamine analogue of sitagliptin.
P1-(Adenosine-5'-P5-(Uridine-5')Pentaphosphate
(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide
Alpha-Benzyl-Aminobenzyl-Phosphonic Acid
Fenfluramine
Pantoprazole	A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2.
Uridine-2',3'-Vanadate
N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine
N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE
Aminoguanidine	A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.
Glycochenodeoxycholic Acid	A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component.
Flavin adenine dinucleotide
(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
Thiabendazole	A member of the class of benzimidazoles carrying a 1,3-thiazol-4-yl substituent at position 2. A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium.
Valrubicin
Huperzine A	A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity.
Bisoprolol	A secondary amine that has formula C18H31NO4.
(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE
Huperzine B
Leflunomide	A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.
Methyl Nonanoate (Ester)
Dehydroepiandrosterone	An androstanoid that is androst-5-ene substituted by an beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.
Ouabain
D-Leucine	The D-enantiomer of leucine.
Adefovir Dipivoxil
N-(8,9,10-Trihydroxy-7-Hydroxymethyl-2,4-Dioxo-6-Oxa-1,3-Diaza-Spiro[4.5]Dec-3-Yl-Acetamide
ABT-510
3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM	An organic cation that is the conjugate acid of 3,7-bis(dimethylamino)phenothiazine.
TD-5108
N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
1-3 Sugar Ring of Pentamannosyl 6-Phosphate
Praziquantel	A pyrazinoisoquinoline that has formula C19H24N2O2.
Eritoran	A lipid A derivative used for the treatment of severe sepsis.
Clotrimazole	A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to a nitrogen is replaced by a monochlorotrityl group.
1-(4-thiophen-2-ylphenyl)methanamine
Metharbital
Paclitaxel	A tetracyclic diterpenoid isolated originally from the bark of the Pacific yew tree, Taxus brevifolia. It is a mitotic inhibitor used in cancer chemotherapy. Note that the use of the former generic name 'taxol' is now limited, as Taxol is a registered trade mark.
5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE
Losartan	A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position
3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid
(3r)-1-Acetyl-3-Methylpiperidine	A N-acylpiperidine that has formula C8H15NO.
5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID
Dithioerythritol	The meso-diastereomer of 1,4-dimercaptobutane-2,3-diol; a sulfur-containing sugar derived from the monosaccharide erythrose; and an epimer of dithiothreitol.
Estriol
3-[(1s)-1-(Dimethylamino)Ethyl]Phenol
Swainsonine	An indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8.
Clonidine
Mdl 101,146
4-Methylimidazole	Imidazole substituted at position 4 by a methyl group.
Zimelidine
N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine	A member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively.
ABX-PTH
Telmisartan
4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine
17-METHYL-17-ALPHA-DIHYDROEQUILENIN
Insulin Glargine
Homatropine Methylbromide	An organic bromide salt that has formula C17H24NO3.Br.
TP-508
WRR-99
Zidovudine	A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.
Cevimeline
L-Tryptophan	The L-enantiomer of tryptophan.
N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
Bromopride
MLN0415
4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE
2-Pyridinethiol
Cardiolipin	A phosphatidylglycerol composed of two molecules of phosphatidic acid covalently linked to a molecule of glycerol.
Pirbuterol
Oxypurinol
Nitrosoethane	A nitroso compound that has formula C2H5NO.
ATG003
N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester
Cytisine	An organic heterotricyclic compound that is the toxic principle in Laburnum seeds and is found in many members of the Fabaceae (legume, pea or bean) family. An acetylcholine agonist, it is widely used throughout Eastern Europe as an aid to giving up smoking.
Tranylcypromine	An alkylamine that has formula C9H11N.
Cytidine-5'-Monophosphate
Beta-Mercaptoethanol
G418
4-Sulfonamide-[1-(4-Aminobutane)]Benzamide
DB04577
FR236913
Oxaprozin
Valdecoxib
Monoisopropylphosphorylserine
(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
(Molybdopterin-S,S)-Dioxo-Thio-Molybdenum(V)
Paramethadione
Argadin
Butenoic Acid	Any C4, straight-chain fatty acid containing one double bond.
ABT-869
Grepafloxacin
CRA_1801
METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE
6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE
GPI-1485
Arformoterol
Vatalanib
Insulin Regular
Acetylcysteine
Droxidopa	A serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension
(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
Doxacurium chloride	The dichloride salt of doxacurium. It is a mixture of the (1R,2S,1'S,2'R), (1R,2S,1'R,2'S) and (1S,2R,1'S,2'R) stereoisomers (a meso isomer and two enantiomers, respectively) of 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride, all of which are in a trans configuration at the 1 and 2 positions of the tetrahydroisoquinolinium rings. A competitive neuromuscular blocker, it is used to provide muscle relaxation in general anaesthesia and to facilitate mechanical ventilation in patients in intensive care.
N-Formylpiperidine
2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
Alpha-Fluoro-Carboxymethyldethia Coenzyme a Complex
Secobarbital
Arecoline	A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.
D-2-Amino-3-Phosphono-Propionic Acid
KB2115
4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL
Methylscopolamine bromide
2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE	An imidazole that has formula C14H12FN5OS2.
2-Thiomethyl-3-Phenylpropanoic Acid
Reidispongiolide C
3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide
PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE
2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid
N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
Venlafaxine	A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.
5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE
Etidronic acid	A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.
Chlordiazepoxide	A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.
Barbital
1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
C1-INH
(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one
5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)
Tolrestat
TBC-3711
(2R)-2-benzyl-3-nitropropanoic acid
Fluocinonide
(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one
Primaquine	A N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.
(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline
METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE
Indapamide
PN0621
Benzatropine	Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.
TAK-475
(2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide	A pyrrolidinecarboxamide that has formula C20H26N6O4S.
Benzonatate	The ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant.
Ethylmorphine
2,6-Diamino-Hexanoic Acid Amide
Glutaric Acid	An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.
Agmatine	A primary amino compound that has formula C5H14N4.
Gentian Violet
Epothilone B
N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide
Cloxacillin	A semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6.
SB939
Phenoxybenzamine
Ticlopidine	A thienopyridine that has formula C14H14ClNS.
4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE
7-Hydroxystaurosporine
Phenolphthalein	A phenol that has formula C20H14O4.
Rofecoxib
Hydroflumethiazide
N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine
(S)-Des-Me-Ampa
[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE	A polyether that consists of undecane in which the carbon atoms at positions 3, 6 and 9 are replaced by oxygen atoms.
CA4P
Benzoic Acid	A compound comprising a benzene ring core carrying a carboxylic acid substituent.
2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL
Nadroparin
2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE
SGN-30
AME-527
Zolpidem	An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.
Ziprasidone	A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.
Isosorbide Dinitrate	A glucitol derivative that has formula C6H8N2O8.
Mometasone	A chlorinated steroid that has formula C22H28Cl2O4.
Metixene	A thioxanthene that has formula C20H23NS.
2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE
1-alpha, 25-dihydroxyl-20-epi-22-oxa-24, 26 ,27-trihomovitamin D3
Solifenacin
Matuzumab
2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID
MLN-977
SU9516
Deamido-Nad+	A nicotinic acid dinucleotide that has formula C21H27N6O15P2.
Phosphoglycolohydroxamic Acid	The hydroxamate of phosphoglycolic acid.
O4-Sulfonylgalactose
Nicotinamide Mononucleotide
Rutin	A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups.
Terbinafine
Betamethasone	A glucocorticoid that has formula C22H29FO5.
Pegaptanib
4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE
Olsalazine
AV608
Clevidipine
Cpad
(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid	A 9-HODE in which the 9-hydroxy group has S-stereochemistry.
Levallorphan
3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE
Ularitide
Fluphenazine	A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the N-10 position.
PSN357
4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Piretanide
BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE
Fructose-6-Phosphate
6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine
Glucagon recombinant
Irinotecan
3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol
Phenylmercury	An arylmercury compound that has formula C6H5Hg.
3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID
7-Methyl-Gpppa
iCo-007
N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide
2-Amino-3-Oxo-4-Sulfo-Butyric Acid
Methysergide
1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA
Cytidine-5'-Triphosphate
2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE
Voacamine	A citraconoyl group that has formula C43H52N4O5.
(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
Brompheniramine	Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.
5-hydroxyvaleric acid
N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
Etanercept
4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
5-AMINO-NAPHTALENE-2-MONOSULFONATE
MF268
Cyanamide	A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group.
4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
MDV3100
Al7089a
[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE	A pyrimidinethione that has formula C19H18N2O2S.
(R)-N-(1-Methyl-Hexyl)-Formamide
2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE	A furopyridine that has formula C25H26N4O.
1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Iodo-Willardiine
7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE	A piperazine that has formula C18H23N6O2.
N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide
1-Hydroxy-2-Amino-3-Cyclohexylpropane
L-Asparagine	An optically active form of asparagine having L-configuration.
N-Acetyl-D-Allosamine
ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE
N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
Olomoucine
5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
2-Chlorodideoxyadenosine	A purine 2',3'-dideoxyribonucleoside that has formula C10H12ClN5O2.
[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
D-Serine	The R-enantiomer of serine.
(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
Linaclotide
2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine
ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
OSI-7904L
Heparin Disaccharide Iii-S
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
Glimepiride	A N-acylurea that has formula C24H34N4O5S.
N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine
Adenosine triphosphate
Paramethasone
2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE
ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE
RP101
N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE
Implitapide
Alpha-1-proteinase inhibitor
4-Flourobenzenesulfonamide
N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
Granisetron
Nadolol	Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.
AT7519
Carboxymycobactin S	Any one of a class of alpha-amino acid ester-lactams secreted by, amongst others, Mycobacterium tuberculosis and which are both lipid- and water-soluble and act as siderophores.
Methimazole	A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.
Cyclohexylformamide
(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE
Desvenlafaxine
NU1025	A member of the class of quinazolines that is quinazolin-4(1H)-one substituted by a hydroxy group at position 8 and a methyl group at position 2. It has been shown to exhibit inhibitory activity against poly(ADP-ribose) polymerase.
5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE	A furopyrimidine that has formula C24H25N5O.
Triphospate
4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE
Haloperidol	A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.
Didanosine	A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen.
(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL	A hydroxypiperidine that is deoxynojirimycin (duvoglustat) in which the amino hydrogen is replaced by a nonyl group.
2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide
Ginkgo biloba
N-ACETYLHISTAMINE	A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function.
Dimethylallyl Diphosphate
4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid
Melatonin	A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans.
2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Tricarballylic Acid	A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group.
(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE	An imidazolidinone that has formula C18H19N5O2.
Sphinxolide B
7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE
4-[3-(Cyclopentyloxy)-4-Methoxyphenyl]-2-Pyrrolidinone
Alpha-Methylisocitric Acid
Mepyramine	An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
Acetic Acid Salicyloyl-Amino-Ester
Repaglinide
(2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
Anileridine
P1-(5'-Adenosyl)P5-(5'-(3'azido-3'-Deoxythymidyl))Pentaphosphate
Para-Isopropylaniline	A substituted aniline carrying an isopropyl group at position 4. It is a metabolite of isoproturon.
(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
Alverine
(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE
Metyrapone
Human Serum Albumin
Tetrahydrobiopterin
FR230513
1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide
Adinazolam	A triazolo[4,3-a][1,4]benzodiazepine having a dimethylaminomethyl group at the 1-position, a phenyl group at the 6-position and a chloro substituent at the 8-position.
3h-Pyrazolo[4,3-D]Pyrimidin-7-Ol	A pyrazolopyrimidine that has formula C5H4N4O.
MLN-02
Flavopiridol
Verapamil	A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.
Tesmilifene
Para-Bromobenzyl Alcohol
Clenbuterol
Vecuronium	A 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidino- and 16beta-N-methylpiperidinium substituents.
Amlodipine	A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina.
Amonafide
Carvedilol	A member of the class of carbazoles that is an adrenergic antagonist with non-selective beta- and alpha-1 receptor blocking properties which helps in the management of congestive heart failure.
Di(N-Acetyl-D-Glucosamine)
Drotaverine
D-4-Phosphoerythronic Acid
1H-INDOL-3-YLACETIC ACID	A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.
Hexanoyl-Coenzyme A
2'-Monophosphoadenosine-5'-Diphosphate
CRx-119
Alcaftadine
Memantine
Pyrimethamine
5-Amidino-Benzimidazole
4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID	An aldoxime that has formula C15H14N4O6.
2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE)
Cefonicid
Heparin	A highly sulfated linear glycosaminoglycan comprising complex patterns of uronic acid-(1->4)-D-glucosamine repeating subunits. Used as an injectable anticoagulant, it has the highest negative charge density of any known biological molecule.
Scopolamine	A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol.
Dehydroascorbic Acid	A tetrahydrofuranone that has formula C6H6O6.
3''-(Beta-Chloroethyl)-2'',4''-Dioxo-3, 5''-Spiro-Oxazolidino-4-Deacetoxy-Vinblastine
1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine
Tiaprofenic acid	An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group.
(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE
2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
intranasal apomorphine
Leucine - Reduced Carbonyl
8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine
Azathioprine	A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.
Aprotinin
N-Cyclohexyl-N'-(4-Iodophenyl)Urea
R673
CRA_9076
N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
Dinoprost Tromethamine	An organic molecular entity that has formula C20H34O5.C4H11NO3.
Alemtuzumab
beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide
Nilutamide
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
Desogestrel
9-(4-Hydroxyphenyl)-2,7-Phenanthroline
7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE	A N-glycosylpyrrolopyrimidine that has formula C11H13IN4O3.
L-BENZYLSUCCINIC ACID
N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide
7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid	A thienopyran that has formula C18H14N2O9S2.
KAI-1455
3'-Phosphate-Adenosine-5'-Diphosphate
Varenicline
(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE
4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN
N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
Lansoprazole	A sulfoxide that has formula C16H14F3N3O2S.
2-Deoxy-2-Aminogalactose
2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic Acid	A N-acetylneuraminic acid that has formula C11H17NO8.
L-Homoarginine	An L-lysine derivative that is the L-enantiomer of homoarginine.
5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE
Indolylpropionic Acid
(5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
Oxibendazole
N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE	A fluoropyrrolidine that has formula C17H30FN3O2.
5-Phospho-D-Arabinohydroxamic Acid
TRAZEOLIDE
N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
Disopyramide	A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug.
GIBBERELLIN A4	A C19-gibberellin.
N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE
Diphenoxylate	A piperidinecarboxylate ester that is the ethyl ester of difenoxin.
Terfenadine
N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide
Risperidone	A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.
N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
2,4-Difluorobenzyl Alcohol 2,4-Difluoro-1-(Hydroxymethyl)Benzene
S-NONYL-CYSTEINE
Quazepam
1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID
C31G
Phosphatidylserine
Acepromazine	A member of the class of phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10.
1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
Ofloxacin	An oxazinoquinolone carrying carboxy, fluoro, methyl and 4-methylpiperazino substituents. A synthetic fluoroquinolone antibacterial agent, it inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.
S-Methylcysteine
Tyloxapol
RU79073
RU79072
Aconitate Ion
Xanthophyll	A subclass of carotenoids consisting of the oxygenated carotenes.
'5'-O-(N-(L-Alanyl)-Sulfamoyl)Adenosine
S-2-(Boronoethyl)-L-Cysteine	L-cysteine substituted at sulfur by a 2-boronoethyl group.
Atomoxetine	A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.
Sulfasalazine	An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.
Vincristine	A vinca alkaloid that has formula C46H56N4O10.
2-Amino-3-Hydroxy-3-Phosphonooxy-Propionic Acid
Uridine-5'-Monophosphate
Atovaquone
Anisotropine Methylbromide	A quaternary ammonium salt resulting from the reaction of the amino group of anisotropine with methyl bromide.
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Naphthalene Trisulfonate
L-709,587
4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
Palmitoyl-Linoleoyl Phosphatidylcholine
Flupentixol
1-Deaza-Adenosine
1-Hydroxy-3-Methylbutane
NB1011
(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol
pradefovir mesylate
{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid
N-Hydroxy-4-Phosphono-Butanamide
6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone
Drospirenone
Fesoterodine
[3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid
Cefmetazole
Gliquidone
Amsacrine
3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL
PDE4
4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
Fulvestrant
1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE
Isoniazid
Phosphatidyl ethanol	Formula:C7H10O8PR2
Colchicine	An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum.
1-biphenyl-2-ylmethanamine
2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
T131
AT9283
Isometheptene
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
Fomepizole	A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.
4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE	A guanidine that has formula C20H36N6O3S.
D-Tyrosine	An optically active form of tyrosine having D-configuration.
(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Dodecyl-Alpha-D-Maltoside
(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
3,4-Methylenedioxymethamphetamine	A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5.
LFA703
Sunitinib	A pyrrole that has formula C22H27FN4O2.
trans-2-hydroxycinnamic acid
6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
(3R,5S,7R,12S,13R)-13-FORMYL-12,14-DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE
Calusterone
BMS068645
Edotecarin
Esmolol	A carboxylic ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenoic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used as the hydrochloride salt in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery.
Clofarabine
Bis(5-Amidino-2-Benzimidazolyl)Methanone
Methylnaltrexone
6s-5,6,7,8-Tetrahydrobiopterin
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
Gamma Hydroxybutyric Acid
CRA_10762
Azilsartan medoxomil	A carboxylic ester obtained by formal condensation of the carboxy group of azilsartan with the hydroxy group of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one. A prodrug for azilsartan, it is used for treatment of hypertension.
Demecarium
Lovastatin	A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as a antilipemic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).
XL019
AZD 3355
3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide
D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Oxacillin	A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6.
Minocycline	A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.
Folic Acid	An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation.
Novobiocin
N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine	A N-carbonylpiperazine that has formula C26H29N5O4S.
(1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID
Dextropropoxyphene	The (1S,2R)-(+)-diastereoisomer of propoxyphene.
Taurocholic Acid	A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals.
Glutamine t-butyl ester
(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
Alpha-L-1-Methyl-Fucose
(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one
Cyclotheonamide A
Lofexidine
4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
Mecamylamine
Ropinirole	An indolone that has formula C16H24N2O.
N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
L-2-amino-3-butynoic acid
Dimenhydrinate	The diphenhydramine salt of 8-chlorotheophylline. Its effects are similar to those of diphenhydramine, but it is less potent. It was thought that by combining the antiemetic effects of diphenhydramine with the mild stimulant effects of 8-chlorotheophyline, the extreme drowsiness induced by the former would be mitigated. However, the sedation caused by diphenhydramine is considerably stronger than the stimulation caused by 8-chlorotheophylline. Dimenhydrinate is used mainly as an antiemetic in the prevention and treatment of motion sickness.
Phenacemide
Diethylpropion	An aromatic ketone that is propiophenone in which one of the hydrogens alpha- to the carbonyl is substituted by a diethylamino group. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as the hydrochloride as an anoretic in the short term management of obesity.
Carboxymethylenecysteine
Remikiren	A N-acyl-amino acid that has formula C33H50N4O6S.
GEM-231
Cisplatin	A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary.
Erythose-4-Phosphate
Hyaluronidase
Urofollitropin
Oprelvekin
Heptane-1,2,3-Triol	A triol comprising heptane substituted with hydroxy groups at C-1, -2 and -3.
1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	A member of the class of N-sulfonylpiperazines that is 2-methylpiperazine substituted at position 1 by a 5-isoquinolinesulfonyl group.
N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
MGI-114
AUROVERTIN B
C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide
Diflorasone	The 16beta-analogue of flumethasone. It is used as the 17,21-diacetate as a topical anti-inflammatory and antipruritic in the treatment of various skin disorders.
Pargyline
Trastuzumab
Guanosine-3'-Monophosphate-5'-Diphosphate
Ribostamycin	An amino cyclitol glycoside that is 4,6-diaminocyclohexane-1,2,3-triol having a 2,6-diamino-2,6-dideoxy-alpha-D-glucosyl residue attached at position 1 and a beta-D-ribosyl residue attached at position 2. It is an antibiotic produced by Streptomyces ribosidificus (formerly S. thermoflavus).
Cyproterone acetate	A chlorinated steroid that has formula C24H29ClO4.
(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
Carboxyatractyloside
Quinethazone
Dexrazoxane	A razoxane that has formula C11H16N4O4.
Belatacept
N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Y-700
Galiximab
Tris(Hydroxymethyl)Aminomethane
(2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
Yohimbine	An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.
(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
3-Oxiran-2ylalanine
Mycophenolate mofetil
Methyltestosterone	A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position.
Loteprednol	A steroid acid ester that has formula C21H27ClO5.
Itraconazole	A dioxolane that has formula C35H38Cl2N8O4.
N-Benzylformamide	A formamide that has formula C8H9NO.
PX-12
Dimethylformamide
Afatinib	A quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an (S)-tetrahydrofuran-3-yloxy group at the 7-position. Used (as its dimaleate salt) for the first-line treatment of patients with metastatic non-small cell lung cancer.
Etodolac	A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active.
Clopidogrel	A thienopyridine that has formula C16H16ClNO2S.
HMPL-004
Cinacalcet
LE-SN38
3,8,9,10-Tetrahydroxy-7-Hydroxymethyl-6-Oxa-1,3-Diaza-Spiro[4.5]Decane-2,4-Dione
Auranofin
corticotropin-releasing factor
1-Methoxy-2-(2-Methoxyethoxy)Ethane	A polyether that is the dimethyl ether derivative of diethylene glycol.
Desipramine	A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.
indane-5-sulfonamide
Topiramate	A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.
6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine	A pyrazine that has formula C30H27N5.
Mitiglinide
Ephedrine	A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively.
AC-(D)PHE-PRO-BOROLYS-OH
4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE
[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester
Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester
Atracurium	A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.
Dansyllysine
Cinoxacin
Filaminast
Abacavir
7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE	A 1,2,3,4-tetrahydroisoquinoline hacing chloro substituents at the 7- and 8-positions.
7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
Cibacron Blue
6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE	An aminopyrimidine that has formula C12H14N4.
7-Nitroindazole-2-Carboxamidine
Liotrix
Mirtazapine	A tetracyclic antidepressant that has formula C17H19N3.
S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea
O2-Sulfo-Glucuronic Acid
Glatiramer Acetate
N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione
(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE	A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups.
ABT-874
L-Citrulline	The L-enantiomer of citrulline.
6-(1,1-Dimethylallyl)-2-(1-Hydroxy-1-Methylethyl)-2,3-Dihydro-7h-Furo[3,2-G]Chromen-7-One
Acitretin
2'-Monophosphoadenosine 5'-Diphosphoribose
Famciclovir	2-Amino-9H-purine in which the hydrogen at position 9 is substituted by a 4-acetoxy-3-(acetoxymethyl)but-1-yl group. A prodrug of the antiviral penciclovir, it is used for the treatment of acute herpes zoster (shingles), for the treatment or suppression of recurrent genital herpes in immunocompetent patients and for the treatment of recurrent mucocutaneous herpes simplex infections in HIV infected patients.
Mesalazine
VEGF-AS
Naratriptan	A heteroarylpiperidine that has formula C17H25N3O2S.
2-deoxyglucose
SR 140333
(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE
Pyridoxine	A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2.
Dicyclomine	The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.
Sulfamethoxazole	An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.
BMS184394
N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-
4-Methyl-Histidine
Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide
Benzthiazide
N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE
Cyclic Adenosine Monophosphate
Felodipine	The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.
FARNESYL
12-Hydroxydodecanoic Acid	A medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid.
L-Threonine	An optically active form of threonine having L-configuration.
Dpb-T
Nor-N-Omega-Hydroxy-L-Arginine
2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
Erythrityl Tetranitrate
Omalizumab
CTS-21166
5-BETA-ANDROSTANE-3,17-DIONE	An androstane-3,17-dione with a 5beta-configuration.
2-Hydroxy-5-[4-(2-Hydroxy-Ethyl)-Piperidin-1-Yl]-5-Phenyl-1h-Pyrimidine-4,6-Dione	A heteroarylpiperidine that has formula C17H21N3O4.
(2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
5-[4-Tert-Butylphenylsulfanyl]-2,4-Quinazolinediamine
Hexylcaine
Quetiapine	A dibenzothiazepine that has formula C21H25N3O2S.
Zopiclone
(1S)-MENTHYL HEXYL PHOSPHONATE GROUP
Fenretinide
Piperazine	An azacycloalkane that consists of a six-membered ring containing two nitrogen atoms at opposite positions.
Alpha-L-Methyl-Fucose
Ketorolac
Bis(Adenosine)-5'-Pentaphosphate
Cyclohexane	An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.
inhaled insulin
Betahistine
O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Mivacurium
D-Myo-Inositol-2,4,5-Trisphosphate
Rilonacept
ABT-263
Azacitidine
4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
Halobetasol Propionate
Moxifloxacin	A quinolone that consits of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.
Erythromycin	Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).
Platelet Activating Factor	A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine where the 2-O-acyl group is specified as acetyl; a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis.
(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
Carbimazole
ISS-1018
4-Hydroxy-1,2,5-Oxadiazole-3-Carboxylic Acid	A 1,2,5-oxadiazole that has formula C3H2N2O4.
5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID
(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID
Icatibant
3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
1-Hexadecanosulfonic Acid
Debrisoquin
Glycine	The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain.
Duramycin	A 19-membered heterodetic cyclic peptide that is isolated from Streptoverticillium cinnamoneus. It exhibits antiproliferative properties and induces apoptosis in tumour cells and has been used for treatment of cystic fibrosis.
Isatoribine
Cinitapride
Emedastine
Putrescine	A four-carbon alkane-alpha,omega-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh.
4-Guanidinobenzoic Acid	Benzoic acid substituted at the para position by a guanidino group.
TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE
Epoetin Zeta
2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE
1-Hydroxyamine-2-Isobutylmalonic Acid
8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one
2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate
(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine	The E-isomer of imidacloprid.
Diphenylpyraline
N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide	A piperazinecarboxylate ester that has formula C20H23N3O7S.
Phosphoramidon	A dipeptide isolated from the cultures of Streptomyces tanashiensis.
CRA_1802
(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
AER001
Cefamandole
Testosterone Propionate	A steroid ester that has formula C22H32O3.
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
4,7-Dioxosebacic Acid
Aprindine
Citric Acid	A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.
9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide
1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
Tocainide
1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
Bezafibrate
[1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate
Marimastat	A tricarboxylic acid triamide that has formula C15H29N3O5.
[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE	A pyridinium salt that has formula C22H36N5O4S.
5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
Physostigmine	An indole alkaloid that has formula C15H21N3O2.
Metoclopramide	A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.
Methyl 4,6-O-[(1r)-1-Carboxyethylidene]-Beta-D-Galactopyranoside
Methacholine
Motuporin
2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID
Oxtriphylline
6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine
KC706
2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Diphosphate
N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
Biotin	An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins.
2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL
Ceftriaxone	A cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups.
4-(1H-IMIDAZOL-1-YL)PHENOL
Zanamivir
Nitromethyldethia Coenzyme A
Ceftibuten
Ketoprofen	An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.
(3R)-3-HYDROXYDODECANOIC ACID	The (R)-enantiomer of 3-hydroxylauric acid. An intermediate in fatty acid biosynthesis.
3-Hydroxyhippuric acid
LY2140023
Farnesol
Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate
1-Allyl-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine
Di-Stearoyl-3-Sn-Phosphatidylcholine
1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
Gluconolactone
NCX 950
Maltose
6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID
Rivaroxaban
Binodenoson
Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate
ABT-089
KD3010
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
Betazole	Pyrazole in which a hydrogen adjacent to one of the nitrogen atoms is substituted by a 2-aminoethyl group. It is a histamine H2-receptor agonist used clinically to test gastric secretory function.
(R)-Rolipram
FLUORESCIN	A xanthene that has formula C20H14O5.
AM103
(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
Terbutaline	A member of the class of phenylethanolamines that is catechol substuted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.
Dutasteride	Finasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.
(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID
Dopamine	Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group.
PUROMYCIN	An aminonucleoside antibiotic, derived from the Streptomyces alboniger bacterium, that causes premature chain termination during translation taking place in the ribosome.
5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
IDD594
2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
Voglibose
2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid
Tmr
CRA_10972
Compound 4-D
Trans-O-Hydroxy-Alpha-Methyl Cinnamate
SR 31747
RU83876
9-N-Phenylmethylamino-Tacrine
Imiquimod	An imidazoquinoline that has formula C14H16N4.
Selegiline
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
Sulfadiazine	A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.
(E)-(2r,3r,4s,5r)-3,4,5-Trihydroxy-2-Methoxy-8,8-Dimethyl-Non-6-Enoic Acid ((3s,6r)-6-Hydroxy-2-Oxo-Azepan-3-Yl)-Amide
MGCD-0103
(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one
Oseltamivir
6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE
3-Indolebutyric Acid
MK-8931
3-(Benzyloxy)Pyridin-2-Amine
1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One	A member of the class of xanthones that is xanthen-9-one substituted at position 4 by a nitro group and at positions 1 and 8 by hydroxy groups.
Metocurine Iodide
Clemastine	2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.
Acetoacetic Acid	A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent.
Fluorouracil
RU78299
WAY-151693
4-Methylthio-Alpha-D-Mannose
Mibefradil
Pyrazinamide
N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE
Ixabepilone
Uridine-5'-Monophosphate Glucopyranosyl-Monophosphateester
Hydrocodone	An organic heteropentacyclic compound that has formula C18H21NO3.
6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl]Pyridine-3-Carboxylic Acid	A tetralin that has formula C24H29NO2.
ZEN-012
2-Aminothiazoline
FX06
Coenzyme a Persulfide
PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE
XL647
Alpha-Hydroxy-Beta-Phenyl-Propionic Acid
ORG-34517
Rifampicin	A rifamycin that is a a semisynthetic antibiotic derived from Amycolatopsis rifamycinica (previously known as Amycolatopsis mediterranei and Streptomyces mediterranei)
N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
Telithromycin
N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE
Probucol
(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE
Fexaramine	A biphenyl that has formula C32H36N2O3.
S-Isopropyl-Isothiourea
Fenofibrate	A chlorobenzophenone that is (4-chlorophenyl)(phenyl)methanone substituted by a [2-methyl-1-oxo-1-(propan-2-yloxy)propan-2-yl]oxy group at position 1 on the phenyl ring.
TD-2749
Cis-tetracosenoyl sulfatide
(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE	A morpholine that has formula C18H21F2N3O7S.
(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
HY10275
1-Methyloxy-4-Sulfone-Benzene
5-Nitroindazole
omega interferon
4-Benzoylamino-4-{1-{1-Carbamoyl-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethylcarbamoyl}-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethylcarbamoyl}-Butyric Acid
(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid
Methylphosphonic Acid Ester Group
Gabapentin
Carbazole Butanoic Acid
Lesopitron
N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE
Cetirizine	A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.
Salicylate-sodium
4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine
ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Tamoxifen	A stilbenoid that has formula C26H29NO.
[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID
1-Ethyl-Pyrrolidine-2,5-Dione	A pyrrolidinone that has formula C6H9NO2.
Troxacitabine
Phenylephrine	A member of the class of the class of phenylethanolamines that is 2-(methylamino)ethanol substituted by a 3-hydroxyphenyl group at position 1.
3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide	A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.
1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane
AGI-1067
3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
1-(2,2'-bithiophen-5-yl)methanamine
S-(4-BROMOBENZYL)CYSTEINE
2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE
Protoporphyrin Ix
2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine
1,5-Dideoxy-1,5-Imino-D-Mannitol
(4s)-5-Fluoro-L-Leucine
Ospemifene	An organochlorine compound that is a selective estrogen receptor modulator; used for treatment of dyspareunia.
methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
Norgestimate
Halofuginone
Alpha-Aminoisobutyric Acid
4-(1-Amino-1-Carboxy-Ethyl)-Benzoic Acid
deoxycytidylyl-3',5'-guanosine
Forskolin	A labdane diterpenoid isolated from the Indian Coleus plant.
(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE
Dipivefrin	The dipivalate ester of (+-)-epinephrine (racepinephrine). A pro-drug of epinephrine, the hydrochloride is used topically as eye drops to reduce intra-ocular pressure in the treatment of open-angle glaucoma or ocular hypertension.
1-Hydroxy-1-Thio-Glycerol
Adenosine Phosphonoacetic Acid
2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
Dimethyl sulfoxide	A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.
Clonazepam	1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation.
Trihexyphenidyl
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Cholecalciferol
Alpha-Aminobutyric Acid	An alpha-amino acid that is butyric acid bearing a single amino substituent located at position 2.
Nelfinavir
1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
OCTANE-1,3,5,7-TETRACARBOXYLIC ACID
Glycerol	A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups.
2,6-dibromo-4-[(E)-2-phenylethenyl]phenol
(5-Oxo-5,6-Dihydro-Indolo[1,2-a]Quinazolin-7-Yl)-Acetic Acid
Guanadrel
1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid
[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID
Tamsulosin	A sulfonamide that has formula C20H28N2O5S.
N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE
1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One
N-[N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-Butyl]-Guanidine	An epoxy monocarboxylic acid that has formula C15H27N5O5.
Barbituric acid derivative
6-Deoxyglucose
Enalapril	A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Nateglinide
Immucillin-G	A dihydroxypyrrolidine that has formula C11H15N5O4.
Dexmedetomidine
Alpha-Ketomalonic Acid
(2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE
6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
Pazopanib
L-Serine	The L-enantiomer of serine.
3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID
Cysteinesulfonic Acid
Mesoridazine
Thiodigalactoside
3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE
Acetylcholine
(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID
(5e,13e)-9,15-Dihydroxy-11-Oxoprosta-5,13-Dien-1-Oicacid
Alfimeprase
Amoxapine	A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.
Sertraline	A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.
Alendronate
(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE
4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID
Treprostinil
Perhexiline
N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE
4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxyl groups of glutaric acid with the amino group of 4-aminostilbene.
Deoxycholic Acid	A dihydroxy-5beta-cholanic acid that has formula C24H40O4.
AL5300
Malathion	A diester that is butanedioate substituted by a (dimethoxyphosphorothioyl)sulfanediyl group at position 2.
4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE	A pyrrolopyrazole that has formula C23H24N6O2S.
(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Phenylalanine Ethyl Ester
XL784
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE
MPI-674
7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester
Ecgonine	A tropane alkaloid that consists of tropane bearing carboxy and hydroxy substituents at positions 2 and 3 respectively and having (1R,2R,3S,5S)-configuration. It is both a metabolite of and a precursor to cocaine.
N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE	A benzothiazine that has formula C20H26N6O2S.
6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL	An aminoalkylpyridine that has formula C22H31Cl2N5OS.
Eprosartan
6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
Dihydrotachysterol
2-[(2-Oxo-2-Piperidin-1-Ylethyl)Thio]-6-(Trifluoromethyl)Pyrimidin-4(1h)-One
Practolol
N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
Zonisamide	A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position.
Methyl Isocyanide
(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
FR239087
3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE
(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CI-1033
Methamphetamine	A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.
Chlorpromazine	A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.
ADL5859
N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE
Tolbutamide	An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
1,2,5,8-tetrahydroxyanthracene-9,10-dione	A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions.
(2S,5R,8S,11R,12S,15S,18S,19S,E)-8-ISOBUTYL-18-((5S,6S)-6-METHOXY-3,5-DIMETHYL-7-PHENYLHEPTYL)-1,2,5,12,15,19-HEXAMETHYL-3,6,9,13,16,20,25-HEPTAOXO-1,4,7,10,14,17,21-HEPTAAZACYCLOPENTACOS-21-ENE-11,22-DICARBOXYLIC ACID
Aprobarbital
Ethanol	A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group.
4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
Thieno[2,3-B]Pyridine-2-Carboxamidine
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
Butabarbital	A barbiturate that has formula C10H16N2O3.
5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOBUTYL-HEXANOIC ACID
3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
Fluticasone furoate	A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmonary disease.
Ibudilast
N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE
N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide
AP1903
{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol
3h-Indole-5,6-Diol
1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine
N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE
Clidinium	The ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome.
7-METHOXY-1-METHYL-9H-BETA-CARBOLINE
ACCLAIM
Isoflurophate
2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One
Triglu-5-Formyl-Tetrahydrofolate
5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
N-(phosphonacetyl)-L-aspartic acid
4-Hydroxy-2-Butanone
Sargramostim
{4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid	A benzotriazole that has formula C31H25F2N4O3PS.
Sulfamerazine
1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide
Nitroarginine
2-(Sec-Butyl)Thiazole
N,4-Dihydroxy-N-Oxo-3-(Sulfooxy)Benzenaminium
Pyrithiamine Pyrophosphate	A pyridinium ion that is the O-pyrophosphoryl derivative of pyrithiamine.
Zafirlukast	A carbamate ester that has formula C31H33N3O6S.
Megestrol acetate	A steroid ester that has formula C24H32O4.
(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Iobenguane
Nitroglycerin	A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain.
2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID
Maraviroc
3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Diflunisal	An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.
Suprofen
6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine
Rabeprazole	A sulfoxide that has formula C18H21N3O3S.
Cefotaxime	A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups.
Pegvisomant
N5-(1-Imino-3-Butenyl)-L-Ornithine
Ethosuximide	A dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures.
Phosphocholine	The phosphate of choline; and the parent compound of the phosphocholine family.
5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole
S-(N-Hydroxy-N-Bromophenylcarbamoyl)Glutathione
R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid
3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE
4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1-&gt;4)HEXOPYRANOSYL-(1-&gt;4)HEXOPYRANOSE
N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
7-Iodo-1,2,3,4-Tetrahydro-Isoquinoline
N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE	An aminopyrimidine that has formula C21H18F3N5O.
Alosetron
5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE
12-Bromododecanoic Acid	A bromo fatty acid consisting of lauric acid having a single bromo-substituent at the 12-position.
Fidarestat
Amylotriose
Brinzolamide
6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE	A pyrrolidinoquinazoline that has formula C22H21N5O3.
Nicergoline
Nonoxynol-9
Tolvaptan
(1'r,2's)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-Yl)Adenine
Interferon beta-1a
Efalizumab
FR233623
Moricizine
Pheniramine
17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
Mirabegron
4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE
Calcitriol	A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.
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