Molecule Details
| InChIKey | UUEMWRIOZLIPHU-BHWOMJMDSA-O |
|---|---|
| Compound Name | N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-2-oxopyrazin-1(2H)-yl)butanamido)-4-carboxy-2-oxobutyl)-N-methylhexan-1-aminium 2,2,2-trifluoroacetate |
| Canonical SMILES | CCCCCC[NH+](C)CC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(Nc2nnn[nH]2)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.66 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 8.5 | IC50 | BindingDB |
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 8.2 | IC50 | BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 7.2 | IC50 | BindingDB |
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 6.8 | IC50 | BindingDB |