Molecule Details
| InChIKey | GJKMIUMNDMWVGF-ZVAWYAOSSA-N |
|---|---|
| Compound Name | ((R)-2-{(S)-2-[(5-carbamimidoyl-4-methyl-thiophen-2-ylmethyl)-carbamoyl]-2,5-dihydro-pyrrol-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid |
| Canonical SMILES | Cc1cc(CNC(=O)[C@@H]2C=CCN2C(=O)C(CC2CCCCC2)NCC(=O)O)sc1C(=N)N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 8.8 | IC50 | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.9 | IC50 | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.9 | IC50 | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.9 | IC50 | ChEMBL |
| P00750 | PLAT | Homo sapiens | Human | PF00008 PF00039 PF00051 PF00089 | 6.2 | IC50 | ChEMBL;BindingDB |