Molecule Details
| InChIKey | HYWKTDGSRPVHPB-FOIFJWKZSA-N |
|---|---|
| Compound Name | (1R)-2-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-N-[4-(2,2,2-trifluoroethyl)isoquinolin-6-yl]cyclopropane-1-carboxamide |
| Canonical SMILES | O=C(Nc1ccc2cncc(CC(F)(F)F)c2c1)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.3 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.9 | IC50 | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.8 | IC50 | ChEMBL;BindingDB |