Molecule Details
| InChIKey | VGKDLMBJGBXTGI-YVEFUNNKSA-N |
|---|---|
| Compound Name | Sertraline, trans-(A+-)- |
| Canonical SMILES | CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.98 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 9.5 | Ki | BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.6 | Ki | BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.7 | Ki | BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.1 | Ki | BindingDB |