Molecule Details
| InChIKey | ZCDZQESCUOZOOO-SVGVZATMSA-N |
|---|---|
| Compound Name | (2S,4S)-N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2R,3R)-2-(cyclohexylamino)-3-methylpentanoyl]-4-ethyl-4-hydroxypyrrolidine-2-carboxamide |
| Canonical SMILES | CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 7.7 | IC50 | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 7.0 | IC50 | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.0 | IC50 | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.4 | IC50 | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.4 | IC50 | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.4 | IC50 | ChEMBL |
| P00748 | F12 | Homo sapiens | Human | PF00008 PF00039 PF00040 PF00051 PF00089 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.2 | IC50 | ChEMBL;BindingDB |