Molecule Details
| InChIKey | MHQWTMHITCVCBY-WBMJQRKESA-N |
|---|---|
| Compound Name | (1R,2S)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-nitrophenyl)propan-1-ol |
| Canonical SMILES | CNC[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1[N+](=O)[O-] |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.46 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 8.1 | Ki | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.7 | Ki | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.4 | IC50 | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.6 | Ki | ChEMBL;BindingDB |