Molecule Details
| InChIKey | JLHICVXBVVRYCH-IWNOPQGDSA-N |
|---|---|
| Compound Name | 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Canonical SMILES | C[C@H](CCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.15 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile