General
Preferred name
Phenylpyruvic acid
Synonyms
2-Oxo-3-phenylpropanoic acid ()
PHENYLPYRUVATE ()
P&D ID
PD007156
CAS
156-06-9
Tags
available
drug candidate
Drug Status
experimental
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 Phenylpyruvic acid is used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase[1].
Compound Sets
3
DrugBank
DB03884
MedChem Express Bioactive Compound Library
HY-W012530
Selleckchem Bioactive Compound Library
2-oxo-3-phenylpropanoic-acid
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
164.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
0.88
TPSA
54.37
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
PDI
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Source data