Molecule Details
| InChIKey | YMYOREROCXXANC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(4-(cyclopentyloxy)-5-(4-(methylcarbamoyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-3-methoxy-N-methylbenzamide |
| Canonical SMILES | CNC(=O)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC4CCCC4)c23)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.01 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |