Molecule Details
| InChIKey | UCIVAANSXWYOFX-WMHYTQGESA-N |
|---|---|
| Compound Name | (2S,4S)-N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2R,3R)-2-[(4-chlorophenyl)methylsulfonylamino]-3-methylpentanoyl]-4-hydroxy-4-methylpyrrolidine-2-carboxamide |
| Canonical SMILES | CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 7.8 | IC50 | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.1 | IC50 | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.4 | IC50 | ChEMBL;BindingDB |