Molecule Details
| InChIKey | VJFZHLXFXHOTLG-AQYVVDRMSA-N |
|---|---|
| Canonical SMILES | Cn1cc(-c2ccc(N([C@H]3CC[C@H](Nc4ccc(C#N)cn4)CC3)S(C)(=O)=O)cc2)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.24 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.5 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 7.0 | IC50 | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |