Molecule Details
| InChIKey | QXAJGNKSKVWFIR-UHFFFAOYSA-N |
|---|---|
| Compound Name | [4-[[4-(3H-benzimidazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-(cyanoamino)phenyl]cyanamide |
| Canonical SMILES | N#CNc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4[nH]cnc4c3)n2)cc1NC#N |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.52 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.9 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.7 | pIC50 | TTD_MultiTarget |
| P27361 | MAPK3 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |