Molecule Details
| InChIKey | QVTBPKJVDXGPQL-FMIVXFBMSA-N |
|---|---|
| Compound Name | (E)-3-(4-(((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)pyridin-3-yl)(methyl)amino)methyl)phenyl)-N-hydroxyacrylamide |
| Canonical SMILES | Cc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)Cc5ccc(/C=C/C(=O)NO)cc5)cn4)ncc3F)cc2n1C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.99 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.3 | IC50 | BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | BindingDB |