GITOXIGENIN (BRD-A29082194)
Overview
- pert_id
- BRD-A29082194
- Name
- gitoxigenin
- Collection
- BIOA
- MOA
- Unknown
- Target(s)
- Unknown
- Indication(s)
- Unknown
- Phase
- Unknown
- Canonical SMILES
- C[C@@]12CCC3C(CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)C[C@H](O)[C@@H]1C5=CC(=O)OC5
- InChI key
- InChIKey=PVAMXWLZJKTXFW-YOUFMJPESA-N
- InChI string
- InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16?,17?,18+,20+,21+,22-,23+/m1/s1
- Molecular formula
- C23H34O5
- Molecular weight
- 390.513
External links
- PubChem
- 11012
- Wikipedia
- http://de.wikipedia.org/wiki/Gitoxigenin
- SEP-L1000
- BRD-A29082194
Predicted MOAs
| MOA | Probability |
|---|---|
| NFkB pathway inhibitor | 0.1579 |
| cyclooxygenase inhibitor | 0.1457 |
| CDK inhibitor | 0.1282 |
| glucocorticoid receptor agonist | 0.1244 |
| protein synthesis inhibitor | 0.0890 |
| HSP inhibitor | 0.0311 |
| tubulin polymerization inhibitor | 0.0270 |
| estrogen receptor agonist | 0.0221 |
| topoisomerase inhibitor | 0.0216 |
| MEK inhibitor | 0.0208 |
Chemical structure
