Drug General Information
Drug ID
D0V6DX
Former ID
DNC006285
Drug Name
Isoquinoline-1,3,4(2H)-trione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528057]
Structure
Download
2D MOL

3D MOL

Formula
C9H5NO3
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C(=O)NC2=O
InChI
1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13)
InChIKey
YIOFGHHAURBGSJ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Apopain Target Info Inhibitor [528057]
mRNA of human caspase 6 Target Info Inhibitor [528057]
Caspase Target Info Inhibitor [528057]
mRNA of Caspase 8 Target Info Inhibitor [528057]
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 myocarditishsa04210:Apoptosishsa04115: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
IL2 Signaling Pathway
IL4 Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
FAS signaling pathway
Huntington disease
CCKR signaling map STP00020:FAS signaling pathwayP00006:Apoptosis signaling pathway
Pathway Interaction Database 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
HIV-1 Nef: Negative effector of Fas and TNF-alpha
Caspase Cascade in Apoptosis
Syndecan-2-mediated signaling eventsp53downstreampathway:Direct p53 effectors
C-MYB transcription factor network
Caspase Cascade in Apoptosisar_pathway:Coregulation of Androgen receptor activity
TRAIL signaling pathway
TNF receptor signaling pathway
Ceramide signaling pathway
Integrins in angiogenesis
Reactome 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
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 DNA Damage Response
SIDS Susceptibility Pathways
Apoptosis Modulation by HSP70
MAPK Signaling Pathway
Copper homeostasis
FAS pathway and Stress induction of HSP regulation
Signaling by Hippo
Apoptosis
Amyotrophic lateral sclerosis (ALS)
Spinal Cord Injury
BDNF signaling pathway
Integrated Pancreatic Cancer Pathway
Oncostatin M Signaling Pathway
Parkinsons Disease Pathway
Corticotropin-releasing hormone
Allograft Rejection
AGE/RAGE pathway
TNF alpha Signaling Pathway
Prostate Cancer
Alzheimers Disease
TWEAK Signaling Pathway
Integrated Breast Cancer Pathway
Signalling by NGF
Integrated Cancer pathway
Regulation of Apoptosis
Intrinsic Pathway for Apoptosis
Apoptotic execution phase
Apoptosis Modulation and Signaling
miRNA Regulation of DNA Damage ResponseWP384:Apoptosis Modulation by HSP70
Apoptosis Modulation and SignalingWP75:Toll-like receptor signaling pathway
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 528057J Med Chem. 2006 Mar 9;49(5):1613-23.Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors.
Ref 528057J Med Chem. 2006 Mar 9;49(5):1613-23.Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors.

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