Molecule Details
| InChIKey | OCIURXJNFVVOLL-LADGPHEKSA-N |
|---|---|
| Compound Name | 3-[(1R,2R)-2-[(4-chloroisoquinolin-6-yl)carbamoyl]cyclopropyl]-N-[5-[(dimethylamino)methyl]-2-pyridinyl]benzamide |
| Canonical SMILES | CN(C)Cc1ccc(NC(=O)c2cccc([C@@H]3C[C@H]3C(=O)Nc3ccc4cncc(Cl)c4c3)c2)nc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 9.0 | Ki | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.2 | Ki | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.7 | Ki | ChEMBL;BindingDB |