Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D03PWU
|
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| Former ID |
DNC010385
|
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| Drug Name |
NSC-138419
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H16N2O5
|
||||
| Canonical SMILES |
CNC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O
|
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| InChI |
1S/C13H16N2O5/c1-14-9-4-2-8(3-5-9)12(18)15-10(13(19)20)6-7-11(16)17/h2-5,10,14H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t10-/m0/s1
|
||||
| InChIKey |
UFBUCKLNZUNJHS-JTQLQIEISA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | DNA (cytosine-5)-methyltransferase 3B | Target Info | Inhibitor | [1] | |
| DNA (cytosine-5)-methyltransferase | 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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