Molecule Details
| InChIKey | RANUNRLHJXMVHG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-benzyl-N-(3-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine |
| Canonical SMILES | Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.35 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 8.6 | IC50 | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.5 | IC50 | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 7.7 | IC50 | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL |