Drug Information

Drug General Information
Drug ID
D0I5JP
Former ID
DNC010376
Drug Name
NSC-137546
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530577]
Structure
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2D MOL

3D MOL
Formula
C12H11Cl2NO5
Canonical SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl
InChI
1S/C12H11Cl2NO5/c13-6-2-1-3-7(14)10(6)11(18)15-8(12(19)20)4-5-9(16)17/h1-3,8H,4-5H2,(H,15,18)(H,16,17)(H,19,20)
InChIKey
DGMFARLQEAXXKN-UHFFFAOYSA-N
PubChem Compound ID
283188
Target and Pathway
Target(s) DNA (cytosine-5)-methyltransferase 3B Target Info Inhibitor [530577]
DNA (cytosine-5)-methyltransferase Target Info Inhibitor [530577]
KEGG Pathway Cysteine and methionine metabolism
Metabolic pathways
MicroRNAs in cancer
Reactome 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 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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