Molecule Details
| InChIKey | JMUOMUDAWFHUPQ-MHZLTWQESA-N |
|---|---|
| Compound Name | (S)-benzyl 1-(5-(4-((4-(trifluoromethyl)phenethyl)carbamoyl)benzyl)-1,2,4-oxadiazol-3-yl)-6-amino-1-oxohexan-2-ylcarbamate |
| Canonical SMILES | NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.21 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 7.6 | Ki | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 7.6 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 7.6 | Ki | ChEMBL |
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 6.7 | Ki | BindingDB |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 6.7 | Ki | ChEMBL |