Molecule Details
| InChIKey | RONFUEZMVTVAJF-VDJXWZONSA-N |
|---|---|
| Compound Name | (2R,3R,4R,5S)-1-[5-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol |
| Canonical SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)CC[C@]4(C)[C@H]3CC[C@]12C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile