DEGUELIN (BRD-K61401890)
Overview
- pert_id
- BRD-K61401890
- Name
- deguelin
- Collection
- BIOA
- MOA
- Unknown
- Target(s)
- Unknown
- Indication(s)
- Unknown
- Phase
- Unknown
- Canonical SMILES
- COc1cc2OC[C@H]3Oc4c5C=CC(C)(C)Oc5ccc4C(=O)[C@H]3c2cc1OC
- InChI key
- InChIKey=ORDAZKGHSNRHTD-UXHICEINSA-N
- InChI string
- InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
- Molecular formula
- C23H22O6
- Molecular weight
- 394.417
External links
- PubChem
- 107935
- Wikipedia
- http://en.wikipedia.org/wiki/Deguelin
- SEP-L1000
- BRD-K61401890
Predicted MOAs
| MOA | Probability |
|---|---|
| MEK inhibitor | 0.2604 |
| tubulin polymerization inhibitor | 0.1339 |
| calcium channel blocker | 0.1271 |
| PI3K inhibitor | 0.0715 |
| estrogen receptor agonist | 0.0526 |
| topoisomerase inhibitor | 0.0504 |
| protein synthesis inhibitor | 0.0364 |
| cyclooxygenase inhibitor | 0.0312 |
| RAF inhibitor | 0.0285 |
| mTOR inhibitor | 0.0199 |
Chemical structure
