Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0A2ZH
|
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| Former ID |
DNC010379
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| Drug Name |
NSC-106084
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C17H13BrO7
|
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| Canonical SMILES |
C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Br)OCC(=O)O)OCC(=O)O
|
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| 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
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | DNA (cytosine-5)-methyltransferase | Target Info | Inhibitor | [1] | |
| DNA (cytosine-5)-methyltransferase 3B | Target Info | Inhibitor | [1] | ||
| 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 1 | 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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