Molecule Details
| InChIKey | QVISYMCZJFEAKJ-QGZVFWFLSA-N |
|---|---|
| Compound Name | 5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]-N-[5-[6-(oxetan-3-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-pyridinyl]pyrimidin-2-amine |
| Canonical SMILES | C[C@@H]1CCCCn2ncc(-c3nc(Nc4ccc(N5CC6(C5)CN(C5COC5)C6)cn4)ncc3F)c21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 9.4 | Ki | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 8.9 | Ki | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 8.4 | Ki | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.1 | Ki | ChEMBL |