Molecule Details
| InChIKey | KEMVTEALAWDZSJ-XJDOXCRVSA-N |
|---|---|
| Compound Name | [4-((S)-1-Carbamimidoyl-pyrrolidin-3-yloxy)-phenyl]-(2-carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-acetic acid |
| Canonical SMILES | N=C(N)N1CCc2ccc(OC(C(=O)O)c3ccc(O[C@H]4CCN(C(=N)N)C4)cc3)cc2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.7 | Ki | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.0 | Ki | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.0 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.0 | Ki | ChEMBL |