Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0J5VK
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| Former ID |
DNC006777
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| Drug Name |
NSC-622445
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| Synonyms |
5,5'-Methylenedisalicylic acid; 122-25-8; 5,5'-Methylenebis(2-hydroxybenzoic acid); Methylenebis(salicylic acid); 5,5-Methylenebis(salicylic acid); UNII-2KF4FVV76N; 5,5-Methylenedisalicylic acid; 5-(3-Carboxy-4-hydroxybenzyl)salicylic acid; 4,4'-Dihydroxy-3,3'-dicarboxydiphenylmethane; 3,3'-Dicarboxy-4,4'-dihydroxydiphenylmethane; NSC 14778; NSC-622445; 2KF4FVV76N; 4,4'-Dihydroxydiphenylmethane-3,3'-dicarboxylic acid; 3,3'-Methylenebis(6-hydroxybenzoic acid); CHEMBL115145; Benzoic acid, 3,3'-methylenebis[6-hydroxy-
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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 |
C15H12O6
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| Canonical SMILES |
C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
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| InChI |
1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
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| InChIKey |
JWQFKVGACKJIAV-UHFFFAOYSA-N
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| CAS Number |
CAS 122-25-8
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial Lethal factor (Bact lef) | Target Info | Inhibitor | [2] |
| 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 | ||||
| Pathway Interaction Database | Cellular roles of Anthrax toxin | |||
| Reactome | Uptake and function of anthrax toxins | |||
| 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. | |||
| REF 2 | Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening. J Med Chem. 2006 Aug 24;49(17):5232-44. | |||
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