Drug Information
Drug General Information | |||||
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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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Drug Type |
Small molecular drug
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Indication | Discovery agent | Investigative | [530577] | ||
Structure |
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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PubChem Compound ID | |||||
Target and Pathway | |||||
Target(s) | Lethal factor | Target Info | Inhibitor | [528374] | |
DNA (cytosine-5)-methyltransferase | Target Info | Inhibitor | [530577] | ||
DNA (cytosine-5)-methyltransferase 3B | Target Info | Inhibitor | [530577] | ||
Pathway Interaction Database | Cellular roles of Anthrax toxin | ||||
References | |||||
Ref 528374 | J Med Chem. 2006 Aug 24;49(17):5232-44.Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening. | ||||
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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