Molecule Details
| InChIKey | VCHDSLCNSXYYJG-QFIPXVFZSA-N |
|---|---|
| Compound Name | 2-(6-Benzyl-5-chloro-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide |
| Canonical SMILES | N=C(N)NCCC[C@H](NC(=O)Cn1c(Cc2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O)C(=O)c1nccs1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.5 |
| 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 | 7.0 | IC50 | ChEMBL;BindingDB |
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.5 | IC50 | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.3 | IC50 | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.3 | IC50 | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.3 | IC50 | ChEMBL |