Drug Information

Drug General Information
Drug ID
D0U5YL
Former ID
DIB019485
Drug Name
compound 4
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526447]
Formula
C18H17N3O9S
InChI
InChI=1S/C18H17N3O8S/c22-10-14(7-16(23)24)21-17(25)12-4-5-13(19-8-12)9-20-30(28,29)15-3-1-2-11(6-15)18(26)27/h1-6,8,10,14,20H,7,9H2,(H,21,25)(H,23,24)(H,26,27)/t14-/m0/s1
InChIKey
MENAYYMPBRSAAE-AWEZNQCLSA-N
PubChem Compound ID
5327304
PubChem Substance ID
8030146, 11571336, 15429148, 39299983, 51096054, 103390775, 113906441
Target and Pathway
Target(s) mRNA of Caspase-2 Target Info Inhibitor [526447]
Apopain Target Info Inhibitor [526447]
Caspase 7 Target Info Inhibitor [526447]
mRNA of Caspase 8 Target Info Inhibitor [526447]
KEGG Pathway MAPK signaling pathway
p53 signaling pathway
Apoptosis
Natural killer cell mediated cytotoxicity
TNF signaling pathway
Serotonergic synapse
Non-alcoholic fatty liver disease (NAFLD)
Alzheimer's disease
Parkinson's disease
Amyotrophic lateral sclerosis (ALS)
Huntington's disease
Epithelial cell signaling in Helicobacter pylori infection
Pertussis
Legionellosis
Toxoplasmosis
Amoebiasis
Tuberculosis
Hepatitis B
Herpes simplex infection
Pathways in cancer
Viral carcinogenesis
Proteoglycans in cancer
MicroRNAs in cancer
Colorectal cancer
Viral myocarditishsa04115:p53 signaling pathway
Toll-like receptor signaling pathway
NOD-like receptor signaling pathway
RIG-I-like receptor signaling pathway
Chagas disease (American trypanosomiasis)
Viral myocarditis
NetPath Pathway TCR Signaling Pathway
IL4 Signaling PathwayNetPath_11:TCR Signaling Pathway
IL2 Signaling Pathway
IL4 Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
FAS signaling pathway
Huntington disease
CCKR signaling map STP00006:Apoptosis signaling pathway
Pathway Interaction Database HIV-1 Nef: Negative effector of Fas and TNF-alpha
Caspase Cascade in Apoptosislysophospholipid_pathway:LPA receptor mediated events
Calcineurin-regulated NFAT-dependent transcription in lymphocytes
FAS (CD95) signaling pathway
Role of Calcineurin-dependent NFAT signaling in lymphocytes
Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Caspase Cascade in Apoptosis
Syndecan-2-mediated signaling eventsar_pathway:Coregulation of Androgen receptor activity
TRAIL signaling pathway
TNF receptor signaling pathway
Ceramide signaling pathway
Integrins in angiogenesis
Reactome NOD1/2 Signaling Pathway
NADE modulates death signallingR-HSA-111463:SMAC binds to IAPs
SMAC-mediated dissociation of IAP:caspase complexes
Apoptotic cleavage of cellular proteins
Degradation of the extracellular matrix
NADE modulates death signalling
Activation of DNA fragmentation factor
Caspase-mediated cleavage of cytoskeletal proteinsR-HSA-111465:Apoptotic cleavage of cellular proteins
Ligand-dependent caspase activation
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 Apoptosis Modulation by HSP70
Apoptosis
Parkinsons Disease Pathway
Signalling by NGF
Apoptosis Modulation and SignalingWP707:DNA Damage Response
SIDS Susceptibility Pathways
MAPK Signaling Pathway
Copper homeostasis
FAS pathway and Stress induction of HSP regulation
Signaling by Hippo
Amyotrophic lateral sclerosis (ALS)
Spinal Cord Injury
BDNF signaling pathway
Integrated Pancreatic Cancer Pathway
Oncostatin M Signaling Pathway
Corticotropin-releasing hormone
Allograft Rejection
AGE/RAGE pathway
TNF alpha Signaling Pathway
Prostate Cancer
Alzheimers Disease
TWEAK Signaling Pathway
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Regulation of Apoptosis
Intrinsic Pathway for Apoptosis
Apoptotic execution phase
Apoptosis Modulation and Signaling
miRNA Regulation of DNA Damage ResponseWP75:Toll-like receptor signaling pathway
DNA Damage Response
MyD88-independent cascade
Nanoparticle triggered regulated necrosis
Parkin-Ubiquitin Proteasomal System pathway
RIG-I/MDA5 mediated induction of IFN-alpha/beta pathways
Extrinsic Pathway for Apoptosis
miRNA Regulation of DNA Damage Response
Regulation of toll-like receptor signaling pathway
NOD pathway
References
Ref 526447Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design. J Med Chem. 2002 Nov 7;45(23):5005-22.
Ref 526447Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design. J Med Chem. 2002 Nov 7;45(23):5005-22.

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