Molecule Details
| InChIKey | JPMBLPVHJHQFHR-OSTLVTSRSA-N |
|---|---|
| Compound Name | (10R,13S)-17-Benzoimidazol-1-yl-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-cyclopenta[a]phenanthren-3-one |
| Canonical SMILES | C[C@]12CCC(=O)C=C1CCC1C2CC[C@]2(C)C(n3cnc4ccccc43)=CCC12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.14 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 6.3 | IC50 | ChEMBL;BindingDB |
| P18405 | SRD5A1 | Homo sapiens | Human | PF02544 | 6.1 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 6.1 | pIC50 | TTD_MultiTarget |
| P05093 | CYP17A1 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |