Drug Information

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]
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 529916Bioorg 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 529916Bioorg 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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