Molecule Details
| InChIKey | XBFAFSAUQFDEOK-JKSUJKDBSA-N |
|---|---|
| Compound Name | (3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide |
| Canonical SMILES | O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| P60953 | CDC42 | Homo sapiens | Human | PF00071 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.0 | IC50 | ChEMBL;BindingDB |