Molecule Details
| InChIKey | SUUHZYLYARUNIA-YEWWUXTCSA-N |
|---|---|
| Compound Name | Benzyloxycarbonyl-valyl-alanyl-aspartyl-fluoromethane |
| Canonical SMILES | CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07744 |
|---|---|
| Drug Name | Z-Val-Ala-Asp fluoromethyl ketone |
| CAS Number | 161401-82-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Non-methylated, competitive, and irreversible inhibitor of caspase 1, as well as other caspases,1 which can be used directly with purified enzymes. It does not require an esterase to hydrolyze the O-methyl ester like the cell-permeable form, Z-Val-Ala-Asp(O-Me) fluoromethyl ketone. |
Categories: Amino Acids Amino Acids, Peptides, and Proteins Caspase Inhibitors Central Nervous System Agents Compounds used in a research, industrial, or household setting Cysteine Proteinase Inhibitors Enzyme Inhibitors Neuroprotective Agents Protease Inhibitors Protective Agents
Cross-references: CHEMBL205821 ChemSpider: 4593739 PubChem:5497171 PubChem:99444215 ZINC: ZINC000025668028
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P29466 | CASP1 | Caspase-1 | binder | targets |