Molecule Details
| InChIKey | LNAGGZKCRWOROX-BXSVOOKSSA-N |
|---|---|
| Compound Name | (2R)-2-[(1R)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17S)-4,5-dihydroxy-6-iodo-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one |
| 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@@H](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 | 6.48 |
| Source | ChEMBL |
2D Structure
Activity Profile