DIGOXIN (BRD-A75144621)
Overview
- pert_id
- BRD-A75144621
- Name
- digoxin
- Collection
- BIOA
- MOA
- ATPase inhibitor
- Target(s)
- ATP1A1
- Indication(s)
- congestive heart failure, atrial fibrillation (AF)
- Phase
- Launched
- Canonical SMILES
- C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)C(CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
- InChI key
- InChIKey=LTMHDMANZUZIPE-YUICGFAKSA-N
- InChI string
- InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25?,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
- Molecular formula
- C41H64O14
- Molecular weight
- 780.938
External links
- PubChem
- 30322
- Wikipedia
- http://en.wikipedia.org/wiki/Digoxin
- SEP-L1000
- BRD-A75144621
Predicted MOAs
| MOA | Probability |
|---|---|
| protein synthesis inhibitor | 0.3190 |
| NFkB pathway inhibitor | 0.2383 |
| glucocorticoid receptor agonist | 0.0748 |
| topoisomerase inhibitor | 0.0462 |
| tubulin polymerization inhibitor | 0.0426 |
| CDK inhibitor | 0.0309 |
| mTOR inhibitor | 0.0253 |
| HSP inhibitor | 0.0225 |
| PI3K inhibitor | 0.0198 |
| MEK inhibitor | 0.0166 |
Chemical structure
Diagnoses (based on Mount Sinai EHR)
Top diagnoses associated with digoxin:
Co-prescribed Drugs (based on Mount Sinai EHR)
Top coprescribed drugs of digoxin:
Age Distribution (based on Mount Sinai EHR)
Probability distribution for the prescription of digoxin across different ages: