Molecule Details
| InChIKey | CDCHESFKYUNJPV-FQEVSTJZSA-N |
|---|---|
| Compound Name | Cdk12-IN-E9 |
| Canonical SMILES | C=CC(=O)Nc1cccc(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.06 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.7 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| Q14004 | CDK13 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 7.3 | IC50 | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.0 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL;BindingDB |