Drug Information

Drug General Information
Drug ID
D0X8XO
Former ID
DNC006138
Drug Name
Z-VAD-CHO
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527847]
Structure
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2D MOL

3D MOL
Formula
C20H27N3O7
Canonical SMILES
CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C=O)NC(=O)OCC1=CC=CC=C<br />1
InChI
1S/C20H27N3O7/c1-12(2)17(23-20(29)30-11-14-7-5-4-6-8-14)19(28)21-13(3)18(27)22-15(10-24)9-16(25)26/h4-8,10,12-13,15,17H,9,11H2,1-3H3,(H,21,28)(H,22,27)(H,23,29)(H,25,26)/t13-,15-,17-/m0/s1
InChIKey
YYQWNJQKDSNAES-QRTARXTBSA-N
PubChem Compound ID
10112904
Target and Pathway
Target(s) Interleukin-1 beta convertase Target Info Inhibitor [527847]
KEGG Pathway NOD-like receptor signaling pathway
Cytosolic DNA-sensing pathway
Amyotrophic lateral sclerosis (ALS)
Salmonella infection
Pertussis
Legionellosis
Influenza A
NetPath Pathway TCR Signaling Pathway
IL2 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
Pathway Interaction Database IL1-mediated signaling events
Direct p53 effectors
IFN-gamma pathway
Cellular roles of Anthrax toxin
Reactome NOD1/2 Signaling Pathway
Interleukin-1 processing
The NLRP3 inflammasome
WikiPathways MAPK Signaling Pathway
Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways
Apoptosis
Amyotrophic lateral sclerosis (ALS)
Parkin-Ubiquitin Proteasomal System pathway
Interleukin-1 processing
Apoptosis Modulation and Signaling
NOD pathway
References
Ref 527847Bioorg Med Chem Lett. 2006 Feb;16(3):559-62. Epub 2005 Nov 4.Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Ref 527847Bioorg Med Chem Lett. 2006 Feb;16(3):559-62. Epub 2005 Nov 4.Tethering identifies fragment that yields potent inhibitors of human caspase-1.

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