TTD | Drug: D0A2ZH

Drug General Information
Drug ID	D0A2ZH
Former ID	DNC010379
Drug Name	NSC-106084
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530577]
Structure		Download 2D MOL 3D MOL
Formula	C17H13BrO7
Canonical SMILES	C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Br)OCC(=O)O)OCC(=O)O
InChI	1S/C17H13BrO7/c18-11-3-6-14(25-9-16(21)22)13(7-11)17(23)10-1-4-12(5-2-10)24-8-15(19)20/h1-7H,8-9H2,(H,19,20)(H,21,22)
InChIKey	PTQLZKRWKHXUJU-UHFFFAOYSA-N
PubChem Compound ID	266989
Target and Pathway
Target(s)	DNA (cytosine-5)-methyltransferase	Target Info	Inhibitor	[530577]
Target(s)	DNA (cytosine-5)-methyltransferase 3B	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 530577	Bioorg 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 530577	Bioorg 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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Drug Information