Molecule Details
| InChIKey | XIMITGPWYYFUQF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[2-[5-Tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]butanoylamino]-5-(hexyl-methylamino)-4-oxopentanoic acid |
| Canonical SMILES | CCCCCCN(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) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.34 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 8.3 | Ki | ChEMBL |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 7.9 | IC50 | ChEMBL |
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 7.3 | IC50 | ChEMBL |
| P51878 | CASP5 | Homo sapiens | Human | PF00619 PF00656 | 6.7 | IC50 | ChEMBL |
| P49662 | CASP4 | Homo sapiens | Human | PF00619 PF00656 | 6.5 | IC50 | ChEMBL |