Molecule Details
| InChIKey | VYNIUBZKEWJOJP-IFMALSPDSA-N |
|---|---|
| Compound Name | 4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine |
| Canonical SMILES | Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 7.9 | Ki | ChEMBL;BindingDB |
| P15538 | CYP11B1 | Homo sapiens | Human | PF00067 | 7.8 | Ki | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 7.5 | Ki | ChEMBL;BindingDB |
| Q16850 | CYP51A1 | Homo sapiens | Human | PF00067 | 7.4 | Ki | ChEMBL;BindingDB |
| P05093 | CYP17A1 | Homo sapiens | Human | PF00067 | 7.1 | Ki | ChEMBL;BindingDB |