Drug General Information
Drug ID	D0UT2X
Former ID	DNC013972
Drug Name	3-chloro-1-(4-hydroxyphenyl)propan-1-one
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529916]
Structure		Download 2D MOL 3D MOL
Formula	C9H9ClO2
Canonical SMILES	C1=CC(=CC=C1C(=O)CCCl)O
InChI	1S/C9H9ClO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2
InChIKey	QRXBKSZGQHXBDO-UHFFFAOYSA-N
PubChem Compound ID	240358
Target and Pathway
Target(s)	4-aminobutyrate aminotransferase, mitochondrial	Target Info	Inhibitor	[529916]
BioCyc Pathway	GABA shunt
	Valine degradation
	Beta-alanine degradation
	4-aminobutyrate degradation
KEGG Pathway	Alanine, aspartate and glutamate metabolism
	Valine, leucine and isoleucine degradation
	beta-Alanine metabolism
	Propanoate metabolism
	Butanoate metabolism
	Metabolic pathways
	GABAergic synapse
PANTHER Pathway	Aminobutyrate degradation
	Pyrimidine Metabolism
	Gamma-aminobutyric acid synthesis
PathWhiz Pathway	Aspartate Metabolism
	Glutamate Metabolism
	Beta-Alanine Metabolism
	Valine, Leucine and Isoleucine Degradation
	Propanoate Metabolism
WikiPathways	GABA synthesis, release, reuptake and degradation
	Alanine and aspartate metabolism
References
Ref 529916	Bioorg Med Chem Lett. 2009 Feb 1;19(3):731-4. Epub 2008 Dec 11.Inactivation of GABA transaminase by 3-chloro-1-(4-hydroxyphenyl)propan-1-one.
Ref 529916	Bioorg Med Chem Lett. 2009 Feb 1;19(3):731-4. Epub 2008 Dec 11.Inactivation of GABA transaminase by 3-chloro-1-(4-hydroxyphenyl)propan-1-one.

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