Molecule Details
| InChIKey | YNRQFMSSDVQNGQ-UHFFFAOYSA-O |
|---|---|
| Compound Name | [3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-carboxy-2-oxo-butyl]-methyl-pentyl-ammonium; chloride |
| Canonical SMILES | CCCCC[NH+](C)CC(=O)C(CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.33 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 11.8 | Ki | BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 10.1 | IC50 | BindingDB |
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 10.0 | IC50 | BindingDB |
| P49662 | CASP4 | Homo sapiens | Human | PF00619 PF00656 | 9.3 | IC50 | BindingDB |
| P51878 | CASP5 | Homo sapiens | Human | PF00619 PF00656 | 9.1 | IC50 | BindingDB |
| P55212 | CASP6 | Homo sapiens | Human | PF00656 | 8.5 | IC50 | BindingDB |
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 8.4 | IC50 | BindingDB |
| Q92851 | CASP10 | Homo sapiens | Human | PF01335 PF00656 | 7.5 | IC50 | BindingDB |