Molecule Details
| InChIKey | GVJLKAACQAJVQS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Cdk6/9-IN-1 |
| Canonical SMILES | CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.38 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.5 | Kd | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 7.4 | IC50 | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |