Molecule Details
| InChIKey | CACQVXQRLSNTQI-FQEVSTJZSA-N |
|---|---|
| Compound Name | 2-[benzyl-[(2S)-2-[(4-carbamimidoylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-2-oxoacetic acid |
| Canonical SMILES | N=C(N)c1ccc(OC[C@H]2COc3cc(N(Cc4ccccc4)C(=O)C(=O)O)ccc3O2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.27 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.3 | Ki | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.3 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.3 | Ki | ChEMBL |
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 6.2 | IC50 | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 6.2 | IC50 | ChEMBL;BindingDB |