Drug Information

Drug General Information
Drug ID
D0P3XJ
Former ID
DNC006137
Drug Name
Z-YVAD-CHO
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527847]
Structure
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2D MOL

3D MOL
Formula
C29H36N4O9
Canonical SMILES
CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C=O)NC(=O)C(CC1=CC=C(C<br />=C1)O)NC(=O)OCC2=CC=CC=C2
InChI
1S/C29H36N4O9/c1-17(2)25(28(40)30-18(3)26(38)31-21(15-34)14-24(36)37)33-27(39)23(13-19-9-11-22(35)12-10-19)32-29(41)42-16-20-7-5-4-6-8-20/h4-12,15,17-18,21,23,25,35H,13-14,16H2,1-3H3,(H,30,40)(H,31,38)(H,32,41)(H,33,39)(H,36,37)/t18-,21-,23-,25-/m0/s1
InChIKey
NEIVVNHQVHXDKP-RCGJGYDGSA-N
PubChem Compound ID
44407073
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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