Molecule Details
| InChIKey | BXBUTKPGTGJGTQ-YOEHRIQHSA-N |
|---|---|
| Compound Name | N-[3-[(1R,2R)-2-(3,4-dichlorophenyl)-1-methoxy-3-(methylamino)propyl]phenyl]-1,1,1-trifluoromethanesulfonamide |
| Canonical SMILES | CNC[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](OC)c1cccc(NS(=O)(=O)C(F)(F)F)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.0 | Ki | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.2 | Ki | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |