Drug Information

Drug General Information
Drug ID
D0O6ZD
Former ID
DNC011338
Drug Name
8-acetyl-7-(benzyloxy)-2H-chromen-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531259]
Structure
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2D MOL

3D MOL
Formula
C18H14O4
Canonical SMILES
CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OCC3=CC=CC=C3
InChI
1S/C18H14O4/c1-12(19)17-15(21-11-13-5-3-2-4-6-13)9-7-14-8-10-16(20)22-18(14)17/h2-10H,11H2,1H3
InChIKey
QMLSJCDSHGYBMT-UHFFFAOYSA-N
PubChem Compound ID
14101447
Target and Pathway
Target(s) Carbonic anhydrase IX Target Info Inhibitor [531259]
KEGG Pathway Nitrogen metabolism
Pathway Interaction Database HIF-1-alpha transcription factor network
Reactome Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxide
WikiPathways Vitamin D Receptor Pathway
Reversible Hydration of Carbon Dioxide
Regulation of Hypoxia-inducible Factor (HIF) by Oxygen
References
Ref 531259Bioorg Med Chem Lett. 2010 Dec 15;20(24):7255-8. Epub 2010 Oct 25.7,8-disubstituted- but not 6,7-disubstituted coumarins selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic ones I and II in the low nanomolar/subnanomolar range.
Ref 531259Bioorg Med Chem Lett. 2010 Dec 15;20(24):7255-8. Epub 2010 Oct 25.7,8-disubstituted- but not 6,7-disubstituted coumarins selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic ones I and II in the low nanomolar/subnanomolar range.

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