Molecule Details
| InChIKey | ZECWHQQHJLYWHX-AAMFHTSSSA-N |
|---|---|
| Compound Name | (5R,6S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-6-iodo-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,4-dione |
| Canonical SMILES | CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H](I)[C@]5(O)C(=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.58 |
| Source | ChEMBL |
2D Structure
Activity Profile