Molecule Details
| InChIKey | UNQMLUWBMWGIRY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)ethyl)pyridine |
| Canonical SMILES | CC(C)(C)c1ccc(SCC(c2ccccn2)c2c[nH]cn2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.63 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.6 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q9H3N8 | HRH4 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |