| Description | Protein expression profiles in HCT116 cell line following drug treatment |
| Measurement | protein expression by mass spectrometry |
| Association | gene-small molecule associations by differential expression of gene following small molecule perturbation |
| Category | proteomics |
| Resource | DeepCoverMOA |
| Citation(s) | |
| Last Updated | 2024 Dec 04 |
| Stats |
|
Gene Attribute
Gene Similarity
Attribute Similarity
UMAP
874 sets of proteins with high or low expression relative to other proteins from the DeepCoverMOA Drug Mechanisms of Action dataset.
| Gene Set | Description |
|---|---|
| Atglistatin | |
| TCS ERK 11e | |
| Pictilisib | |
| Zebularine | |
| ONX 0914 | |
| Tamibarotene | A tetralin that has formula C22H25NO3. |
| Bicifadine | |
| Dihydroartemisinin | A sesquiterpenoid compound which is used as a drug for treatment of malaria. |
| Pitolisant | |
| SB 216763 | |
| H-Arg(NO2)-OH | |
| UNC 0631 | |
| WAY 316606 | |
| ML221 | |
| Vorinostat | |
| Epoxomicin | A tripeptide consisting of an Ile-Ile-Thr-NH2 sequence N-substituted on the threonamide amidic nitrogen with a (2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl group and with acetyl and methyl groups on the nitrogen of the isoleucine residue distal to the threonamide; a naturally occurring selective proteasome inhibitor with anti-inflammatory activity. |
| JQ-1 | |
| MG-132 | |
| Crizotinib | |
| NMS-873 | |
| NNC 26-9100 | |
| Tropicamide | |
| Nexturastat A | |
| Entinostat | |
| Aripiprazole | A quinolone that has formula C23H27Cl2N3O2. |
| Quisinostat | |
| Formestane | |
| MK-1775 | |
| Celastrol | |
| MLN4924 | |
| UNC 0638 | |
| AGK2 | |
| Tubastatin A | |
| Siponimod | |
| NVP-BSK805 | |
| Boc-4mesyloxypiperidine | |
| MK2206 | |
| Betamethasone | A glucocorticoid that has formula C22H29FO5. |
| BIX 01294 | |
| Benzbromarone | |
| Abemaciclib | |
| PRT062607 | |
| MI-773 | |
| Olodaterol | A member of the class of benzoxazine that is 6-hydroxy-1,4-benzoxazin-3-one in which the hydrogen at position 4 is replaced by a (1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl group. Used (as its hydrochloride salt) for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema. |
| Bafilomycin A1 | The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus. |
| Nutlin3a | |
| RN486 | |
| BQ-788 | |
| SB-224289 | |
| Neurokinin A | A polypeptide that has formula C50H80N14O14S. |
| Meloxicam | |
| NB-598 | |
| PF-3758309 | |
| RG2833 | |
| GSK-1070916 | |
| mL347 | |
| Lapatinib | |
| D-3263 | |
| Fedratinib | |
| 9-Aminocamptothecin | |
| Mycophenolic acid | |
| L-Valyl-L-phenylalanine | |
| Amsacrine | |
| Sunitinib | A pyrrole that has formula C22H27FN4O2. |
| PDE-9i | |
| OTSSP167 | |
| Volasertib | |
| Idasanutlin | |
| KPT-330 | |
| IRAK-1-4 Inhibitor I | |
| PF-431396 | |
| WH-4-023 | |
| BI 2536 | |
| Berzosertib | |
| CGP77675 | |
| CCT241533 | |
| Cilengitide | |
| Bosutinib | |
| Paricalcitol | |
| Veliparib | |
| Calcipotriol | A seco-cholestane that has formula C27H40O3. |
| VU 0364739 | |
| NU7441 | |
| TNP-470 | |
| CAY10550 | |
| 2,2'-Biquinoline | |
| CB 13 | |
| STK410283 | |
| Desipramine | A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group. |
| Pinometostat | |
| UNC1215 | |
| Brequinar | |
| NVP-BHG712 | |
| Atosiban | |
| MPI-0479605-HCL | |
| Flavopiridol | |
| Cediranib | |
| Yohimbine | An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina. |
| TPPB | |
| NVP-BEP800 | |
| Simvastatin | A fatty acid ester comprising a dihydroxyheptanoic acid unit condensed into a lactone; a partially reduced naphthalene structure; and a 2,2-dimethylbutyric acyl substituent at C17. It is used as a cholesterol-lowering and anti-cardiovascular disease drug. |
| Seratrodast | |
| Obatoclax | |
| Taranabant | |
| Bafetinib | |
| Bombesin | |
| Nilotinib | |
| Sulforaphane | |
| Testolactone | |
| (S)-Selisistat | |
| ko143 | |
| Ro 48-8071 | |
| Perhexiline | |
| AZD-5438 | |
| H 89 | |
| Sotrastaurin | |
| L-165041 | |
| kb NB 142-70 | |
| Gedatolisib | |
| Ro-3306 | |
| AS 1517499 | |
| AZ505 | |
| Sultiame | |
| ARL 17477 | |
| SCHEMBL5061501 | |
| CHEMBL570596 | |
| Tetrindole | |
| Darapladib | |
| PHA 767491 | |
| Pamidronic acid | |
| Tazarotene1 | |
| Nateglinide | |
| Rosiglitazone | |
| CB-839 | |
| GW842166X | |
| CBL0137 | |
| DMB | |
| PAP-1 | |
| Pyrene | An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. |
| Silmitasertib | |
| Talazoparib | |
| STK410281 | |
| Silodosin | |
| Roflumilast | |
| Thiothixene | |
| Defactinib | |
| TAE 226 | |
| 5-Hydroxyflavone | |
| Benzo[a]pyrene | An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. |
| Reversine | 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. |
| T-00127_HEV1 | |
| MRS 2578 | |
| MI-3 | |
| Pentadecanoyl EA | |
| BCATc-In2 | |
| Undecanoic acid | A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series. |
| Kaempferide | |
| Radicicol | An antifungal macrolactone antibiotic, obtained from Diheterospora chlamydosporia and Chaetomium chiversii that inhibits protein tyrosine kinase and heat shock protein 90 (Hsp90). |
| VE-821 | |
| CHEMBL513147 | |
| Pamoic Acid | A dicarboxylic acid that has formula C23H16O6. |
| Tazarotene2 | |
| GSK126 | |
| RO495 | |
| BX 912 | |
| Atomoxetine | A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. |
| Perindopril | An alpha-amino acid ester that is the ethyl ester of N-{(2S)-1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}-L-norvaline |
| AXL1717 | |
| 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. |
| MEK162 | |
| Rucaparib | |
| KM03430 | |
| XAV 939 | |
| Ralfinamide | |
| BMS-536924 | |
| Sapropterin | |
| Pazopanib | |
| Toceranib | |
| CA-074 | |
| Birabresib | |
| CPI-203 | |
| PD173212 | |
| 4-Nitropiazthiole | |
| GW7647 | |
| RN-1734 | |
| CyPPA | |
| KH7 | |
| QNZ | |
| Quinidine | A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. |
| A 967079 | |
| BMS309403 | |
| HMB-Val-Ser-Leu-VE | |
| Ethoxzolamide | 1,3-Benzothiazole substituted a sulfonamide and an ethoxy group at positions 2 and 6, respectively. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic. |
| PD 160170 | |
| AZD4547 | A member of the class of benzamides that is a carboxamide resulting from the formal condensation of the carboxy group of 4-(cis-3,5-dimethylpiperazin-1-yl)benzoic acid with the amino substituent of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine. It is an inhibitor of the fibroblast growth factor receptor (FGFR). |
| Zofenopril | |
| Ruxolitinib | |
| MN-64 | |
| Sildenafil | |
| CH5132799 | |
| Doramapimod | |
| Midostaurin | |
| L-779450 | |
| TAK-285 | |
| GSK2606414 | |
| RGFP966 | |
| L-741 | |
| SP2509 | |
| MERCK544 | |
| Methazolamide | |
| 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. |
| Momelotinib | |
| GSK2636771 | |
| Encorafenib | |
| SPB06189 | |
| TGX-221 | |
| BMS-911543 | |
| Zafirlukast | A carbamate ester that has formula C31H33N3O6S. |
| SB 225002 | |
| Purvalanol | |
| PRX-08066 | |
| Dantrolene | The hydrazone resulting from the formal condensation of 5-(4-nitrophenyl)furfural with 1-aminohydantoin. |
| Acifran | |
| Progesterone | A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. |
| Zosuquidar | |
| Stiripentol | |
| EIPA | |
| Palonosetron | |
| IWR-1 | |
| MRE-269 | |
| SGC0946 | |
| Terazosin | A piperazine that has formula C19H25N5O4. |
| Ozagrel | |
| LY 344864 | |
| SC 560 | |
| HMS3745G19 | |
| Dabigatran | An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism. |
| Rolapitant | |
| SB-222200 | |
| LY411575 | |
| AZD8055 | |
| NDT 9513727 | |
| FK866 | |
| INCB 3284 | |
| SB 699551 | |
| STK841699 | |
| RF9 | |
| FIPI HCl | |
| Gandotinib | |
| GW 441756 | |
| SP600125 | |
| Cyclopamine | A piperidine that has formula C27H41NO2. |
| Anastrozole | A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. |
| LY2090314 | |
| Dinoprost | |
| JZL 184 | |
| Sitagliptin | A triazolopyrazine that exhibits hypoglycemic activity. |
| 2,4-Dichlorophenol | A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4. |
| 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. |
| HX 531 | |
| CC-401 | |
| Ac-YVAD-CHO | |
| STK869906 | |
| BCX 1470 | |
| Orteronel | |
| Sumatriptan | A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). |
| CHEMBL200403 | |
| GW9508 | |
| Vidofludimus | |
| Debio-1347 | |
| SSR 69071 | |
| Nafamostat | |
| Ascomycin | |
| AT 406 | |
| PP2 | |
| Pramipexole | A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively. |
| UNC2250 | |
| Clozapine | A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. |
| AZD1152 | |
| AZ20 | |
| BAY 61-3606 | |
| MBX-2982 | |
| Carbamazepine | A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. |
| Ospemifene | An organochlorine compound that is a selective estrogen receptor modulator; used for treatment of dyspareunia. |
| Torcetrapib | A (trifluoromethyl)benzene that has formula C26H25F9N2O4. |
| ZD 7288 | |
| GSK2334470 | |
| Ruboxistaurin | |
| Lasmiditan | |
| Ibrutinib2 | |
| PF429242 | |
| Bromopyruvic acid | |
| GW4064 | |
| Quizartinib | |
| OSI-027 | |
| XEN445 | |
| L755507 | |
| SR 27897 | |
| NSC 23766 | |
| AZD7762 | |
| SD-208 | |
| OSU-03012 | |
| Resmetirom | |
| GR79236 | |
| G-1 | |
| Vilazodone | |
| PF-04620110 | |
| 7,3,4-THIF | |
| PNU-120596 | |
| CZC-25146 | |
| STK832240 | |
| Rislenemdaz | |
| Nolatrexed | |
| Leupeptin | A peptide that has formula C20H38N6O4. |
| SB-269970 | |
| CJ-42794 | |
| NBTGR | |
| Lixivaptan | |
| VUF11207 | |
| SCH 530348 | |
| CHEMBL2397099 | |
| AZ 628 | |
| Timapiprant | |
| MLS0315771 | |
| Salmeterol | |
| AZD1152-HQPA | |
| SB290157 | |
| STK155799 | |
| AS-605240 | |
| Phenylboronic acid | |
| Ursodiol | |
| PF-8380 | |
| Y-33075 | |
| Mardepodect | |
| Tivozanib | |
| GSK-923295 | |
| Finasteride | An aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia. |
| Blonanserin | |
| 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. |
| CHEMBL2041153 | |
| Olvance | |
| Acetazolamide | A thiadiazole that has formula C4H6N4O3S2. |
| AR-C155858 | |
| Asarone | A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus. |
| Azilsartan | |
| KH-CB19 | |
| SAR020106 | |
| Dimethylfraxetin | |
| CCT128930 | |
| Filanesib | |
| Zaltoprofen | |
| NIBR189 | |
| 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. |
| ICG-001 | |
| NS 3763 | |
| NS309 | |
| Varespladib | |
| TOFA | |
| Erythromycin | Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus). |
| Navarixin | |
| Rivastigmine | |
| Dipyridamole | A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots. |
| ABT-199 | |
| ZINC6198410 | |
| Enzastaurin | |
| Moxonidine | |
| LY2584702 | |
| BD 1008 | |
| 7-Hydroxycoumarine | |
| Rhodanine derivative38 | |
| Tozasertib | |
| PLX-4720 | |
| Dopamine | Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. |
| LY 487379 | |
| Bestatin | A peptide that has formula C16H24N2O4. |
| RVX-208 | |
| Migalastat | |
| GBR 12909 | |
| Guanethidine | |
| GSK2656157 | |
| Ingenol-3-angelate | |
| Molindone | |
| MRS 1754 | |
| Ivabradine | |
| Entospletinib | |
| TMN 355 | |
| Vemurafenib | |
| 6-Mercaptopurine | |
| LY2365109 | |
| Cimetidine | A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. |
| HA130 | |
| Abiraterone1 | |
| Saracatinib | |
| Mifepristone | |
| CP-673451 | |
| KU-60019 | |
| Anacetrapib | |
| JNJ-38877605 | |
| Actinonin | |
| GW 501516 | An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. |
| Ispinesib | |
| 3-Deazaneplanocin A | |
| Anamorelin | |
| L-Mimosine | |
| Iloprost | |
| Tiagabine | |
| JP1302 | |
| Ulipristal | |
| YK-4-279 | |
| IBC 293 | |
| SSR128129E | |
| 3,5-Dichlorosalicylic acid | |
| Fingolimod | |
| PJ34 | |
| ABL127 | |
| Dexrazoxane | |
| Palbociclib | |
| Dapagliflozin | |
| MLN 8237 | |
| LY2801653 | |
| Ivacaftor | |
| CH-223191 | |
| BMS 754807 | |
| Milrinone | A member of the class of bipyridines that is 2-pyridone which is substituted at positions 3, 5, and 6 by cyano, pyrid-4-yl, and methyl groups, respectively. It is used (particularly intravenously, as the lactate) for the short-term management of severe heart failure. |
| Buspirone | An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the nitrogen atom. |
| Aprepitant | |
| Ceritinib | A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonylamino)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. |
| L-168,049 | |
| Retigabine | |
| mL167 | |
| Dasatinib | |
| PCI-34051 | |
| Tandutinib | |
| ML-265 | |
| Diethylstilbestrol | |
| ZM 336372 | |
| BML-277 | |
| MK-6892 | |
| Zotarolimus | |
| Tanomastat | |
| GSK 650394 | |
| HY-50713 | |
| Carprofen | Propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs. |
| TPCA-1 | |
| SMI-16a | |
| ZINC2093649 | |
| Turofexorate | |
| UNC2881 | |
| STF-31 | |
| 6603-0104 | |
| Febuxostat | |
| Cetrorelix | |
| Osilodrostat | |
| UMI-77 | |
| Enzalutamide | |
| Nifedipine | A dihydropyridine that has formula C17H18N2O6. |
| L-Cysteine | An optically active form of cysteine having L-configuration. |
| Tideglusib | |
| Rifampicin | A rifamycin that is a a semisynthetic antibiotic derived from Amycolatopsis rifamycinica (previously known as Amycolatopsis mediterranei and Streptomyces mediterranei) |
| Avosentan | |
| WAY 170523 | |
| Glufosinate | |
| Telotristat | |
| PF-543 | |
| SKI II | |
| BEC | |
| GSK343 | |
| Metyrapone | |
| RWJ 50271 | |
| Thiamet G | |
| AZD 6482 | |
| AKR1C3-IN-1 | |
| SR 11237 | |
| PP 1 | |
| SB 525334 | |
| Pimavanserin | |
| Alectinib | |
| Raloxifene | A benzothiophene that has formula C28H27NO4S. |
| AMG 487 | |
| AM 630 | |
| Basimglurant | |
| Tiplaxtinin | |
| Acitretin | |
| SR 142948 | |
| BS-181 | |
| LDN-192960 | |
| 7,8-Dihydroxyflavone | |
| 3-Benzyloxyaniline | |
| CHEMBL569227 | |
| Castanospermine | |
| GSK2578215 | |
| CHEMBL1902935 | |
| Cloprostenol | |
| FTI-277 | |
| RK-24466 | |
| Lalistat1 | |
| 5-Ethynyluracil | |
| SGI-1776 | |
| Metolazone | |
| 2-Cl-IB-MECA | |
| STL321288 | |
| Necrostatin 2 | |
| Pirenzepine | |
| ACA | |
| Quiflapon | |
| 4EGI-1 | |
| HC 030031 | |
| TCS PIM-1 1 | |
| Nitisinone | |
| A 438079 | |
| NU 7026 | |
| PF 4800567 | |
| Tadalafil | |
| CHEMBL1436068 | |
| Bay 60-7550 | |
| PD 176252 | |
| Triclabendazole | |
| Probenecid | |
| Pyrimethamine | |
| A 922500 | |
| 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. |
| UK 383367 | |
| Tafamidis | |
| ZINC8945 | |
| FMK | |
| UAMC00039 | |
| AMN 082 | |
| HC 067047 | |
| L-NIL | |
| LPA2 An1 | |
| (4-Chlorobenzyl)pyridine | |
| LOMEGUATRIB | |
| Histamine | A 1H-imidazol-4-yl group substituted at position C-4 by a 2-aminoethyl group. |
| IU1 | |
| A 803467 | |
| 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. |
| Prucalopride | |
| GS-9620 | |
| L-Menthol | |
| BRL 54443 | |
| Bexarotene | |
| TRAM-34 | An organochlorine compound that has formula C22H17ClN2. |
| AM966 | |
| LP-533401 | |
| Alogliptin | A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. |
| Nisoldipine | |
| BW 723C86 | |
| TAK-875 | |
| CAL-101 | |
| Erlotinib | |
| LUF-5735 | |
| Mubritinib | |
| MK 886 | |
| EPZ004777 | |
| APD668 | |
| P005091 | |
| A-317491 | |
| AA92593 | |
| Ramelteon | |
| Tipifarnib | |
| SCH 58261 | |
| 1,4-DHNA | |
| Ethynyl Estradiol | |
| Anagrelide | A 1,5-dihydroimidazo[2,1-]quinazoline having an oxo substituent at the 2-position and chloro substituents at the 6- and 7-positions. |
| BMS-5 | |
| NSC95682 | |
| Duvelisib | |
| Ribociclib | |
| Linagliptin | |
| NSC735380 | |
| Paroxetine | A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. |
| PX-12 | |
| STL336112 | |
| IC-87114 | |
| Pepstatin A | |
| Org25543 | |
| SR 3335 | |
| HhAntag | |
| Bosentan | |
| PDK1-In | |
| c-Fms-IN-3 | |
| R-848 | |
| Tafluprost | |
| Fluoxymesterone | An anabolic androgenic steroid that has formula C20H29FO3. |
| 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. |
| SAR7334 | |
| Capsazepine | A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist. |
| BAY 57-1293 | |
| KU 55933 | |
| Dorzolamide | 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension. |
| Binospirone | |
| Fumagillin | A meroterpenoid resulting from the formal condensation of the hydroxy group of fumagillol with the carboxylic acid group of (all-E)-deca-2,4,6,8-tetraenedioic acid. Originally isolated from the fungus Aspergillus fumigatus, it is used for the control of Nosema infection in honey bees. |
| Clorgiline | |
| (S)-(-)-Pindolol | |
| H-1152 | |
| W-13 HCl | |
| UK 356618 | |
| TC-O 9311 | |
| Dicumarol | |
| Bergenin | |
| SKF 89976A | |
| Tranexamic acid | |
| Evacetrapib | |
| Alosetron | |
| Indapamide | |
| 3-Hydroxyflavone | |
| Acamprosate | |
| JW 480 | |
| BMY 7378 | |
| Oleanolic Acid | A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. |
| Ibrutinib1 | |
| Ripasudil | |
| PF 04447943 | |
| I3C | |
| Tizanidine | 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at alpha2-adrenergic receptor sites. |
| 5-R-Rivaroxaban | |
| Gefitinib | |
| Imiquimod | An imidazoquinoline that has formula C14H16N4. |
| Vatalanib | |
| NP118809 | |
| Octreotide | A homodetic cyclic peptide that has formula C49H66N10O10S2. |
| TAK-779 | |
| TCS-OX2-29 | |
| Genistein | 7-Hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. |
| DY 131 | |
| 2,6-Dichlorophenethylamine | |
| 2-PMPA | |
| PAC-1 | |
| Ticagrelor | |
| CID-2745687 | |
| Gliclazide | |
| Montelukast | An aliphatic sulfide that has formula C35H36ClNO3S. |
| Dronedarone | |
| PD 123319 | |
| Benethamine | |
| Repaglinide | |
| Fluticasone | |
| 2-Bromophenethylamine | |
| BX 471 | |
| Maraviroc | |
| 4mu8C | |
| EWP-815 | |
| Trihydroxyisoflavone | |
| 10074-G5 | |
| Ginkgolide A | A diterpene lactone that has formula C20H24O9. |
| LY 364947 | |
| Guanfacine | |
| Parecoxib | |
| PS-1145 | |
| Eltrombopag | |
| ABT-737 | |
| D399-0002 | |
| Odanacatib | |
| 4-Methylhistamine | An aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring. |
| Olaparib | A member of the class of N-acylpiperazines obtained by formal condensation of the carboxy group of 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid with the free amino group of N-(cyclpropylcarbonyl)piperazine. |
| R121919 | |
| Ibutilide | |
| PF-514273 | |
| Climbazole | |
| ML218 | |
| EPZ-6438 | |
| MF63 | |
| Racecadotril | |
| Indomethacin | |
| GSK4112 | |
| GSK429286A | |
| Pomalidomide | An aromatic amine that is thalidomide substituted at position 4 on the isoindole ring system by an amino group. Used for the treatment of multiple myeloma in patients who failed to respond to previous therapies. |
| STK235555 | |
| TC-N 22A | |
| Tipiracil | |
| Torasemide | An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. |
| Senicapoc | |
| 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. |
| Icatibant | |
| LUBIPROSTONE | |
| STX-0119 | |
| BACE1_In | |
| Mianserin | |
| PF-04418948 | |
| STL304557 | |
| A 1120 | |
| STK368746 | |
| Vernakalant | |
| JTE 013 | |
| AGI-6780 | |
| AK-54059 | |
| fMLF | |
| Lorcaserin | |
| Ezatiostat | |
| QX 314 | |
| 4-Benzylpyridine | |
| LXR-623 | |
| Sulfanilamide | A sulfonamide in which the sulfamoyl functional group is attached to aniline at the 4-position. |
| Telmisartan | |
| Rupatadine | |
| Eplerenone | A steroid acid ester that has formula C24H30O6. |
| BLZ-945 | |
| NSC19883 | |
| Vicriviroc | |
| 4,4'-Dichlorobenzil | |
| CAY10683 | |
| conivaptan | |
| FR 180204 | |
| Iclaprim | |
| N6022 | |
| Eletriptan | |
| CHEMBL1643306 | |
| Bromfenac | Amfenac in which the the hydrogen at the 4 position of the benzoyl group is substituted by bromine. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure. |
| CBIO | |
| Thymidine | A pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase. |
| HJC0350 | |
| STK416816 | |
| Selisistat | |
| RRD-251 | |
| CHEMBL2431803 | |
| Tacrine | |
| Olanzapine | A benzodiazepine that has formula C17H20N4S. |
| STK066844 | |
| GSK-LSD1 | |
| AUDA | |
| Spautin-1 | |
| Baricitinib | |
| Macitentan | A member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orphan drug used for the treatment of pulmonary arterial hypertension. |
| DPP-IV-IN-2 | |
| VPC23019 | |
| CHEMBL383736 | |
| Marimastat | A tricarboxylic acid triamide that has formula C15H29N3O5. |
| Prinomastat | |
| SB-408124 | |
| Ibutamoren | |
| GK01981 | |
| GW 3965 | A diarylmethane that has formula C33H31ClF3NO3. |
| NBI-74330 | |
| Levosimendan | |
| Compound-1a | |
| Icotinib | |
| Terbinafine | |
| 3-Benzotriazol-propionic acid | |
| Balicatib | |
| INT-747 | |
| STK772817 | |
| Teijin compound 1 | |
| BHT | |
| SB-674042 | |
| Rotigotine | |
| 6-Aminochrysene | |
| Aliskiren | |
| Mavorixafor | |
| LY334370 | |
| Tezacaftor | |
| UPF 648 | |
| HFI-142 | |
| Chloro-L-alanine | |
| Rimonabant | |
| T3 | |
| VU0152100 | |
| Chlorsulfuron | |
| ML-323 | |
| XEN 103 | |
| Ethiprole | A pyrazole that has formula C13H9Cl2F3N4OS. |
| XCT 790 | A cinnamamide that has formula C23H13F9N4O3S. |
| Actonel | |
| LCL161 | |
| AK 7 | |
| MK-3207 | |
| p-Tolylboronic acid | |
| Alfuzosin | A tetrahydrofuranol that has formula C19H27N5O4. |
| Eniporide | |
| Forodesine | |
| Darifenacin | |
| CHEMBL1597046 | |
| Succinobucol | |
| Bisphenol A | A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. |
| Tolvaptan | |
| SB 334867 | |
| RS 67333 | |
| D-(+)-Glucose | |
| Cytosporone B | |
| Sitaxsentan | |
| Abiraterone2 | |
| (RS)-PPG | |
| Acenaphthoquinone | |
| BBL003126 | |
| Rofecoxib | |
| Fluorescein | |
| Tasimelteon | A member of the class of 1-benzofurans that is propionamide in which one of the amide hydrogens is replaced by a [(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl group. A melatonin receptor agonist used for the treatment of non-24-hour sleep-wake disorder. |
| Methylnaltrexone | |
| TMP269 | |
| Cysmethynil | |
| AGN 190299 | |
| Eptifibatide | |
| VTP-27999 | |
| CAY10650 | |
| GNF-5 | |
| VU 0364439 | |
| Tacrolimus | |
| Rifaximin | |
| AQ-390/43364023 | |
| Dapiprazole | |
| Papaverine | A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. |
| Z32036776 | |
| [Pyr1]-Apelin-13 | |
| ZJ 43 | |
| CHEMBL1348080 | |
| ML365 | |
| Rucinol | |
| Fenoldopam | A benzazepine that has formula C16H16ClNO3. |
| Mirabegron | |
| 4-Aminobenzohydrazide | |
| CHEMBL2172374 | |
| SB 218795 | |
| Olcegepant | |
| Darunavir | |
| Sulcotrione | |
| Quetiapine | A dibenzothiazepine that has formula C21H25N3O2S. |
| BMS 303141 | |
| TCS 1102 | |
| Paliperidone | |
| ZM 241385 | |
| CHCA | |
| STK746869 | |
| Dichlorphenamide | |
| Huperzine A | A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. |
| Fumitremorgin C | |
| Desvenlafaxine | |
| CGS 35066 | |
| Dicyclohexylamine | |
| RH00511 | |
| NFPS | |
| CHEMBL217125 | |
| Zonisamide | A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position. |
| Minocycline | A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. |
| Isoproterenol | |
| Mildronate | |
| Aztreonam | |
| TR-14035 | |
| AC-7954 | |
| 4,4'-Dimethoxybenzil | |
| Fevipiprant | |
| BBL023172 | |
| Ro 28-1675 | |
| ML349 | |
| DP-agonist13 | |
| GSK189254A | |
| ISO-1 | |
| Olopatadine | |
| Dichlorisone | |
| NSC 87877 | |
| Asimadoline | |
| WZ811 | |
| (Z)-Pugnac | |
| Uridine | |
| GNE-9605 | |
| CP 94253 | |
| Cilostamide | |
| AM095 | |
| Tirofiban | |
| Cyanuric chloride | |
| Tofacitinib | |
| SH-4-54 | |
| Treprostinil | |
| Tolimidone | |
| Epristeride | |
| alvimopan | |
| S107 | |
| NSC43673 | |
| HPGDS-In1 | |
| 4-Methoxybenzoic acid | |
| Roxatidine | |
| (S)-Zopiclone | |
| Glycyrrhizic acid | |
| a-Naphthoflavone | |
| Laropiprant | |
| GW311616 |
