Molecule Details
| InChIKey | ZQXWSHOYNMQRDD-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethoxy)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Canonical SMILES | COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3OC(F)(F)F)ncnc2cc1OCCCN1CCN(C)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.38 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.4 | pIC50 | TTD_MultiTarget |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 6.3 | pIC50 | TTD_MultiTarget |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |