Drug General Information
Drug ID	D0X0RE
Former ID	DNC009814
Drug Name	4-methylstyrylboronic acid
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530086]
Structure		Download 2D MOL 3D MOL
Formula	C9H11BO2
Canonical SMILES	B(C=CC1=CC=C(C=C1)C)(O)O
InChI	1S/C9H11BO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7,11-12H,1H3
InChIKey	JJOBVKVXRDHVRP-UHFFFAOYSA-N
PubChem Compound ID	6019835
Target and Pathway
Target(s)	Carbonic anhydrase I	Target Info	Inhibitor	[530086]
KEGG Pathway	Nitrogen metabolism
Pathway Interaction Database	C-MYB transcription factor network
PathWhiz Pathway	Gastric Acid Production
Reactome	Erythrocytes take up carbon dioxide and release oxygen
	Erythrocytes take up oxygen and release carbon dioxide
	Reversible hydration of carbon dioxide
WikiPathways	Reversible Hydration of Carbon Dioxide
	Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes
	Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
References
Ref 530086	Bioorg Med Chem Lett. 2009 May 15;19(10):2642-5. Epub 2009 Apr 5.Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids.
Ref 530086	Bioorg Med Chem Lett. 2009 May 15;19(10):2642-5. Epub 2009 Apr 5.Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids.

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