Molecule Details
| InChIKey | JQRWYCWILFBHJT-UHFFFAOYSA-N |
|---|---|
| Compound Name | 9-Chloro-2-[5-[3-(dimethylamino)propyl]-2-methoxyanilino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione |
| Canonical SMILES | COc1ccc(CCCN(C)C)cc1Nc1ncc2c(n1)-c1ccc(Cl)cc1NC(=S)C2 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.01 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 8.0 | IC50 | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.3 | pIC50 | TTD_MultiTarget |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.8 | pIC50 | TTD_MultiTarget |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.7 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.2 | IC50 | ChEMBL;BindingDB |