Molecule Details
| InChIKey | XJVGQDMDOVIHME-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[4-[[4-(aminomethyl)-2-pyridinyl]sulfamoyl]phenyl]-N-(4-chloroisoquinolin-6-yl)cyclopropane-1-carboxamide |
| Canonical SMILES | NCc1ccnc(NS(=O)(=O)c2ccc(C3CC3C(=O)Nc3ccc4cncc(Cl)c4c3)cc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.1 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.0 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.8 | IC50 | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.3 | IC50 | ChEMBL;BindingDB |
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |