Molecule Details
| InChIKey | TXPKEBVGMYWHJR-JATSAMCOSA-N |
|---|---|
| Compound Name | (2Z)-2-[(3R,5S,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]propanenitrile |
| Canonical SMILES | C/C(C#N)=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.2 |
| Source | ChEMBL |
2D Structure
Activity Profile