Molecule Details
| InChIKey | ZAXKLHPTMZESOW-GVAUOCQISA-N |
|---|---|
| Compound Name | (S)-1-[(R)-2-(3,3-dimethyl-butyrylamino)-3-phenyl-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-(benzooxazole-2-carbonyl)-4-guanidino-butyl]-amide; TFA |
| Canonical SMILES | CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.01 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 8.6 | IC50 | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 8.6 | IC50 | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 8.6 | IC50 | ChEMBL |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 7.2 | IC50 | ChEMBL |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.0 | IC50 | ChEMBL |