Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01VNN
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| Former ID |
DNC010374
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| Drug Name |
NSC-622444
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| Synonyms |
NSC622444; NSC-622444; CHEMBL116347; AC1Q3LXD; AC1L7GK5; SCHEMBL9755151; dichlorinated diacylmethane fragment; ZINC1616868; BDBM50048522; 5,3'-dicarboxy-4,4'-dihydrodiphenylmethane; 5,5''-methylenebis(3-chloro-2-hydroxybenzoic acid); 5,5'-Methylenebis(3-chloro-2-hydroxybenzoic acid); 3,3'-methanediylbis(5-chloro-6-hydroxybenzoic acid); 5-(3-carboxy-5-chloro-4-hydroxybenzyl)-3-chloro-2-hydroxybenzoic acid; 3',3-Dichloro-4',4-dimethoxy-5',5-bis(methoxycarbonyl)-1,1-diphenylmethane
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C15H10Cl2O6
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| Canonical SMILES |
C1=C(C=C(C(=C1C(=O)O)O)Cl)CC2=CC(=C(C(=C2)Cl)O)C(=O)O
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| InChI |
1S/C15H10Cl2O6/c16-10-4-6(2-8(12(10)18)14(20)21)1-7-3-9(15(22)23)13(19)11(17)5-7/h2-5,18-19H,1H2,(H,20,21)(H,22,23)
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| InChIKey |
BFCJNYJGIGUQJA-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | DNA [cytosine-5]-methyltransferase (DNMT) | Target Info | Inhibitor | [1] |
| DNA [cytosine-5]-methyltransferase 3B (DNMT3B) | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation. Bioorg Med Chem. 2010 Jan 15;18(2):822-9. | |||
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