Molecule Details
| InChIKey | JHVKBJJTUMIPIT-QQKFYDJZSA-N |
|---|---|
| Compound Name | 4-fluoro-N-[(8xi,9xi,14xi)-17-(4-methyl-1H-imidazol-1-yl)androsta-5,16-dien-3beta-yl]benzamide |
| Canonical SMILES | Cc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccc(F)cc6)CC[C@]5(C)C4CC[C@]23C)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.61 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05093 | CYP17A1 | Homo sapiens | Human | PF00067 | 7.0 | IC50 | ChEMBL |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.0 | IC50 | ChEMBL |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 6.7 | IC50 | ChEMBL |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 6.3 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |