Molecule Details
| InChIKey | WBARIYCPDHTNET-LRAOMWEDSA-N |
|---|---|
| Compound Name | (1R)-2-[4-[[(3R)-piperidin-3-yl]methylsulfamoyl]phenyl]-N-(4-propylisoquinolin-6-yl)cyclopropane-1-carboxamide |
| Canonical SMILES | CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)NC[C@@H]4CCCNC4)cc3)cc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.9 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.6 | IC50 | ChEMBL;BindingDB |
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |