Molecule Details
| InChIKey | BHAYRYMRZPSMNJ-GPCFFXNZSA-N |
|---|---|
| Compound Name | (R)-4-((8S,10S,12S,14R,15R,17S)-10,13-Dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 2-sulfamoyl-benzothiazol-6-yl ester |
| Canonical SMILES | C[C@H](CCC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.92 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile