Molecule Details
| InChIKey | KMRYRPPWJDYHAL-QGZVFWFLSA-N |
|---|---|
| Compound Name | Cdk4/6-IN-3 |
| Canonical SMILES | CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cnn5c4[C@H](C)CCCC5)n3)nc1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | Ki | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 8.7 | Ki | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.0 | Ki | ChEMBL |