Molecule Details
| InChIKey | YDLSCFILSJHEPL-XEERSMPTSA-N |
|---|---|
| Compound Name | (2E)-2-[(2S,3S,5S,8S,9S,10S,13S,14S)-3-hydroxy-2-methoxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]acetonitrile |
| Canonical SMILES | CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)/C(=C/C#N)CC[C@@H]32)C[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.26 |
| Source | ChEMBL |
2D Structure
Activity Profile