Molecule Details
| InChIKey | MVKKLGNVARQKRP-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(4-(4-Chlorophenyl)-1,4-diazepan-1-yl)-1-(4-fluorophenyl)butan-1-one |
| Canonical SMILES | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 8.3 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.6 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.2 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |