General
Preferred name
ACETIC ACID PHENYL ESTER
Synonyms
Acetylphenol ()
Phenol acetate ()
Phenyl acetate ()
P&D ID
PD055443
CAS
122-79-2
Tags
available
drug candidate
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Phenyl acetate is an endogenous metabolite and a metabolite of 2-phenylethylamine, which can be found in urine. Phenyl acetate regulates the metabolism of glutamine. In addition, Phenyl acetate can be used as a detection index for certain diseases, such as depression[1][2].
PRICE 29
DESCRIPTION Phenyl acetate (Acetic acid phenyl ester) is an aromatic fatty acid metabolite of phenylalanine with potential antineoplastic activity. Naturally occurring in mammals, phenylacetate induces differentiation, growth inhibition, and apoptosis in tumor cells. (TargetMol Bioactive Compound Library)
Compound Sets
4
ChEMBL Drugs
CHEMBL289559
MedChem Express Bioactive Compound Library
HY-128733
Selleckchem Bioactive Compound Library
phenyl-acetate
TargetMol Bioactive Compound Library
T0650
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
136.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.61
TPSA
26.3
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data