Molecule Details
| InChIKey | QIHKHBGQSKPTOB-SANMLTNESA-N |
|---|---|
| Compound Name | N-[(S)-5-amino-1-(5-{4-[2-(3-chloro-phenyl)-ethylcarbamoyl]-benzyl}-[1,2,4]oxadiazole-3-carbonyl)-pentyl]-3,5-difluoro-benzamide |
| Canonical SMILES | NCCCC[C@H](NC(=O)c1cc(F)cc(F)c1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.36 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 8.8 | Ki | BindingDB |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 8.8 | Ki | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL |