Molecule Details
| InChIKey | DXBVMSLBLNVYPE-BPGUCPLFSA-N |
|---|---|
| Compound Name | (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide |
| Canonical SMILES | O=C(Nc1ccc2cnccc2c1F)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2cccnc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.12 |
| 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 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.4 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.8 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.5 | IC50 | ChEMBL;BindingDB |