Molecule Details
| InChIKey | GQFCNTKPAFRBKK-HKUYNNGSSA-N |
|---|---|
| Compound Name | US11447493, Example 63 |
| Canonical SMILES | C=CC(=O)Nc1ccc(C(=O)N2C[C@H](Nc3ncc4ccccc4n3)[C@@H](F)C2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.18 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 6.3 | IC50 | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.0 | IC50 | ChEMBL |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 6.0 | IC50 | ChEMBL |