Drug Information

Drug General Information
Drug ID
D0J5VK
Former ID
DNC006777
Drug Name
NSC-622445
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530577]
Structure
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2D MOL

3D MOL
Formula
C15H12O6
Canonical SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
InChI
1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
InChIKey
JWQFKVGACKJIAV-UHFFFAOYSA-N
PubChem Compound ID
67145
Target and Pathway
Target(s) Lethal factor Target Info Inhibitor [528374]
DNA (cytosine-5)-methyltransferase Target Info Inhibitor [530577]
DNA (cytosine-5)-methyltransferase 3B Target Info Inhibitor [530577]
KEGG Pathway Cysteine and methionine metabolism
Metabolic pathways
MicroRNAs in cancer
Pathway Interaction Database Cellular roles of Anthrax toxin
Reactome Uptake and function of anthrax toxinsR-HSA-212300:PRC2 methylates histones and DNA
NoRC negatively regulates rRNA expression
DNA methylation
WikiPathways Mesodermal Commitment Pathway
Endoderm Differentiation
Trans-sulfuration and one carbon metabolism
One Carbon Metabolism
miR-targeted genes in lymphocytes - TarBase
References
Ref 530577Bioorg Med Chem. 2010 Jan 15;18(2):822-9. Epub 2009 Nov 27.Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation.
Ref 528374J Med Chem. 2006 Aug 24;49(17):5232-44.Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening.
Ref 530577Bioorg Med Chem. 2010 Jan 15;18(2):822-9. Epub 2009 Nov 27.Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation.

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