Molecule Details
| InChIKey | JOVKYDBJPWDSPA-MRXNPFEDSA-N |
|---|---|
| Compound Name | 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
| Canonical SMILES | C[C@@H]1CCCCn2ncc(-c3nc(Nc4ccc(C5CCN(C)CC5)cn4)ncc3F)c21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 9.1 | Ki | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 8.4 | Ki | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.5 | Ki | ChEMBL |