Drug Information

Drug General Information
Drug ID
D09GKA
Former ID
DNC006287
Drug Name
2-(4-methoxy-benzyl)isoquinoline-1,3,4-trione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528057]
Structure
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2D MOL

3D MOL
Formula
C17H13NO4
Canonical SMILES
COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=O)C2=O
InChI
1S/C17H13NO4/c1-22-12-8-6-11(7-9-12)10-18-16(20)14-5-3-2-4-13(14)15(19)17(18)21/h2-9H,10H2,1H3
InChIKey
UJBONJNKVPTSPR-UHFFFAOYSA-N
PubChem Compound ID
11522185
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 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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