Drug General Information
Drug ID	D09AED
Former ID	DNC006289
Drug Name	2-benzylisoquinoline-1,3,4-trione
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528057]
Structure		Download 2D MOL 3D MOL
Formula	C16H11NO3
Canonical SMILES	C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=O)C2=O
InChI	1S/C16H11NO3/c18-14-12-8-4-5-9-13(12)15(19)17(16(14)20)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey	MCRWFXGWJMDFON-UHFFFAOYSA-N
PubChem Compound ID	11357566
Target and Pathway
Target(s)	Apopain	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 myocarditis
NetPath Pathway	TCR Signaling Pathway
	IL2 Signaling Pathway
	IL4 Signaling Pathway
PANTHER Pathway	Apoptosis signaling pathway
	FAS signaling pathway
	Huntington disease
	CCKR signaling map ST
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 events
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 proteins
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 Response
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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