Molecule Details
| InChIKey | CZWQBSKNHUVZLI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine |
| Canonical SMILES | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |