Molecule Details
| InChIKey | SSVSKCKWUAPYHI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(dimethylamino)-1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone |
| Canonical SMILES | Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)CN(C)C)C5)ncc3F)cc2n1C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.8 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.4 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL;BindingDB |