Drug Information

Drug General Information
Drug ID
D02IKE
Former ID
DNC009069
Drug Name
Ac-IETD-CHO
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530042]
Structure
Download
2D MOL

3D MOL
Formula
C21H34N4O10
Canonical SMILES
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)<br />C=O)NC(=O)C
InChI
1S/C21H34N4O10/c1-5-10(2)17(22-12(4)28)20(34)24-14(6-7-15(29)30)19(33)25-18(11(3)27)21(35)23-13(9-26)8-16(31)32/h9-11,13-14,17-18,27H,5-8H2,1-4H3,(H,22,28)(H,23,35)(H,24,34)(H,25,33)(H,29,30)(H,31,32)/t10?,11?,13-,14-,17-,18-/m0/s1
InChIKey
AXTKTZHLZLOIIO-XSOGSSMESA-N
PubChem Compound ID
11466200
Target and Pathway
Target(s) mRNA of Caspase 8 Target Info Inhibitor [530042]
KEGG Pathway p53 signaling pathway
Apoptosis
Toll-like receptor signaling pathway
NOD-like receptor signaling pathway
RIG-I-like receptor signaling pathway
TNF signaling pathway
Non-alcoholic fatty liver disease (NAFLD)
Alzheimer's disease
Huntington's disease
Legionellosis
Chagas disease (American trypanosomiasis)
Toxoplasmosis
Tuberculosis
Hepatitis B
Herpes simplex infection
Pathways in cancer
Viral carcinogenesis
Viral myocarditis
PANTHER Pathway Apoptosis signaling pathway
FAS signaling pathway
Huntington disease
Pathway Interaction Database Coregulation of Androgen receptor activity
TRAIL signaling pathway
FAS (CD95) signaling pathway
TNF receptor signaling pathway
Ceramide signaling pathway
Integrins in angiogenesis
HIV-1 Nef: Negative effector of Fas and TNF-alpha
Caspase Cascade in Apoptosis
Reactome Apoptotic cleavage of cellular proteins
Ligand-dependent caspase activation
NOD1/2 Signaling Pathway
TRIF-mediated programmed cell death
Caspase-mediated cleavage of cytoskeletal proteins
Regulation by c-FLIP
RIPK1-mediated regulated necrosis
CASP8 activity is inhibited
TNFR1-induced proapoptotic signaling
Regulation of TNFR1 signaling
CLEC7A/inflammasome pathway
Regulation of necroptotic cell death
Dimerization of procaspase-8
FasL/ CD95L signaling
TRAIL signaling
NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10
WikiPathways Toll-like receptor signaling pathway
DNA Damage Response
Apoptosis Modulation by HSP70
FAS pathway and Stress induction of HSP regulation
MyD88-independent cascade
Apoptosis
Nanoparticle triggered regulated necrosis
Integrated Pancreatic Cancer Pathway
Parkin-Ubiquitin Proteasomal System pathway
Allograft Rejection
AGE/RAGE pathway
TNF alpha Signaling Pathway
Prostate Cancer
Alzheimers Disease
TWEAK Signaling Pathway
Integrated Breast Cancer Pathway
Integrated Cancer pathway
RIG-I/MDA5 mediated induction of IFN-alpha/beta pathways
Intrinsic Pathway for Apoptosis
Extrinsic Pathway for Apoptosis
Apoptotic execution phase
Apoptosis Modulation and Signaling
miRNA Regulation of DNA Damage Response
Regulation of toll-like receptor signaling pathway
NOD pathway
References
Ref 530042J Med Chem. 2009 Apr 23;52(8):2188-91.Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6.
Ref 530042J Med Chem. 2009 Apr 23;52(8):2188-91.Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6.

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