Drug General Information
Drug ID	D08JNO
Former ID	DNC011336
Drug Name	8-acetyl-7-butoxy-2H-chromen-2-one
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531259]
Structure		Download 2D MOL 3D MOL
Formula	C15H16O4
Canonical SMILES	CCCCOC1=C(C2=C(C=C1)C=CC(=O)O2)C(=O)C
InChI	1S/C15H16O4/c1-3-4-9-18-12-7-5-11-6-8-13(17)19-15(11)14(12)10(2)16/h5-8H,3-4,9H2,1-2H3
InChIKey	ULYJCIVHEFSJIF-UHFFFAOYSA-N
PubChem Compound ID	52943193
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 531259	Bioorg 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 531259	Bioorg 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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