Molecule Details
| InChIKey | XJKTXWSMMWPNTP-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-cyclopentyl-N,N-dimethyl-2-((4-(5-morpholino-7-oxo-7H-thieno[3,2-b]pyran-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
| Canonical SMILES | CN(C)C(=O)c1cc2cnc(Nc3ccc(-c4csc5c(=O)cc(N6CCOCC6)oc45)cc3)nc2n1C1CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.86 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.3 | IC50 | ChEMBL |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.0 | IC50 | ChEMBL |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.0 | IC50 | ChEMBL |