Molecule Details
| InChIKey | CDRQZRZODAGYKU-DEOSSOPVSA-N |
|---|---|
| Compound Name | 4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-2-oxo-propyl}-benzamidine |
| Canonical SMILES | N=C(N)c1ccc(CC(=O)CN2C(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)CCO4)CCc3ccccc32)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 7.8 | Ki | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 7.7 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 7.7 | Ki | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 7.7 | Ki | ChEMBL;BindingDB |