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	10640
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 528057	J 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 528057	J 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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