Molecule Details
| InChIKey | IUWWRSQCDUQDEZ-QYMSDJBWSA-N |
|---|---|
| Compound Name | 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide |
| Canonical SMILES | C[C@@H](Oc1cc(C(=O)N(C)C)ccc1Nc1nc(OC2CCC(C)(O)CC2)c2c(Cl)c[nH]c2n1)C(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.91 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 12.0 | IC50 | BindingDB |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 10.5 | IC50 | BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 10.2 | IC50 | BindingDB |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 10.0 | IC50 | BindingDB |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 10.0 | IC50 | BindingDB |
| Q9BXA7 | TSSK1B | Homo sapiens | Human | PF00069 | 9.7 | IC50 | BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 9.6 | IC50 | BindingDB |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 9.2 | IC50 | BindingDB |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 8.0 | IC50 | BindingDB |