Molecule Details
| InChIKey | VVRYCAATWSEKQQ-SXOMAYOGSA-N |
|---|---|
| Compound Name | (S)-1-[(R)-4-(1-oxy-pyridin-2-yl)-2-phenylmethanesulfonylamino-butyryl]-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide |
| Canonical SMILES | NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 10.3 | Ki | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 9.2 | Ki | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 7.7 | Ki | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 7.7 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 7.7 | Ki | ChEMBL |