Molecule Details
| InChIKey | HUUCUGRZFSMNOH-UHFFFAOYSA-N |
|---|---|
| Compound Name | N,N-dimethyl-2-[4-[4-(6-oxo-1-propan-2-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]acetamide |
| Canonical SMILES | CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N(C)C)CC4)cc23)ccc1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.86 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |