Drug Information

Drug General Information
Drug ID
D0W9VA
Former ID
DNC003523
Drug Name
1,2-NAPHTHOQUINONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529103]
Structure
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2D MOL

3D MOL
Formula
C10H6O2
Canonical SMILES
C1=CC=C2C(=C1)C=CC(=O)C2=O
InChI
1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
InChIKey
KETQAJRQOHHATG-UHFFFAOYSA-N
PubChem Compound ID
10667
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [529103]
Indoleamine 2,3-dioxygenase Target Info Inhibitor [529353]
Liver carboxylesterase Target Info Inhibitor [529103]
mRNA of Protein tyrosine phosphatase-1B Target Info Inhibitor [526377]
Cholinesterase Target Info Inhibitor [529103]
BioCyc Pathway Superpathway of tryptophan utilization
Tryptophan degradation
L-kynurenine degradation
Tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde
NAD de novo biosynthesis
KEGG Pathway Glycerophospholipid metabolism
Cholinergic synapsehsa00380:Tryptophan metabolism
Metabolic pathways
African trypanosomiasishsa00983:Drug metabolism - other enzymes
Metabolic pathwayshsa04520:Adherens junction
Insulin signaling pathway
NetPath Pathway TSLP Signaling Pathway
IL5 Signaling Pathway
TGF_beta_Receptor Signaling PathwayNetPath_25:FSH Signaling Pathway
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathwayP00012:Cadherin signaling pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database ATF-2 transcription factor networke2f_pathway:E2F transcription factor networkinsulin_pathway:Insulin Pathway
Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)
Signaling events mediated by PTP1B
Calcineurin-regulated NFAT-dependent transcription in lymphocytes
Signaling events mediated by TCPTP
IGF1 pathway
EGF receptor (ErbB1) signaling pathway
Posttranslational regulation of adherens junction stability and dissassembly
PDGFR-beta signaling pathway
N-cadherin signaling events
PathWhiz Pathway Phospholipid BiosynthesisPW000163:Tryptophan Metabolism
Reactome Tryptophan catabolismR-HSA-354192:Integrin alphaIIb beta3 signaling
Regulation of IFNG signaling
Regulation of IFNA signaling
Growth hormone receptor signaling
WikiPathways Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer PathwayWP465:Tryptophan metabolism
Metabolism of amino acids and derivativesWP2884:NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450WP481:Insulin Signaling
Growth hormone receptor signaling
Leptin signaling pathway
Interferon gamma signaling
Interferon alpha/beta signaling
Integrin alphaIIb beta3 signalingWP229:Irinotecan Pathway
References
Ref 529103J Med Chem. 2007 Nov 15;50(23):5727-34. Epub 2007 Oct 17.Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.
Ref 526377Bioorg Med Chem Lett. 2002 Aug 5;12(15):1941-6.Synthesis and PTP1B inhibition of 1,2-naphthoquinone derivatives as potent anti-diabetic agents.
Ref 529103J Med Chem. 2007 Nov 15;50(23):5727-34. Epub 2007 Oct 17.Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.
Ref 529353J Med Chem. 2008 Mar 27;51(6):1706-18. Epub 2008 Mar 5.Indoleamine 2,3-dioxygenase is the anticancer target for a novel series of potent naphthoquinone-based inhibitors.

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