Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5332)
Drug Name
Phenylacetic acid
Synonyms
.alpha.-Toluic acid; .omega.-Phenylacetic acid; 2-Phenylacetic acid; Acetic acid, phenyl-; Benzenacetic acid; Benzeneacetic acid; Benzylcarboxylic acid; Benzylformic acid; Kyselina fenyloctova; Kyselina fenyloctova [Czech]; PHENYL ACETIC ACID; PHENYL-ACETIC ACID; PHENYLACETIC ACID; Phenylacetic acid (natural); Phenylethanoic acid; Phenyllacetic acid; alpha-Toluic acid; omega-Phenylacetic acid; phenylacetate
Indication Phenylketonuria [ICD11: 5C50] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 136.15 Topological Polar Surface Area 37.3
Heavy Atom Count 10 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
999
ChEBI ID
ChEBI:30745
CAS Number
103-82-2
Formula
C8H8O2
Canonical SMILES
C1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey
WLJVXDMOQOGPHL-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
PAA-amino acid conjugates DM018729 N. A. Unclear - Unclear 1 [2]
PAA-Glc DM016137
51034619
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010996 Phenylacetic acid PAA-Glc Unclear - Unclear Unclear [2]
MR010997 Phenylacetic acid PAA-amino acid conjugates Unclear - Unclear Unclear [2]
References
1 Phenylacetic acid was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 UDP-glucosyltransferase UGT84B1 regulates the levels of indole-3-acetic acid and phenylacetic acid in Arabidopsis

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