e-Drug3D

1607

PHENYLACETATE


INN
PHENYLACETATE

(is an active metabolite)

cas 7631-42-7
CLASS

NITROGEN-BINDING AGENT FOR CHRONIC UREAC CYCLE DISORDERS (UCDS)
AMMONIA SCAVENGER
SUBSTRATE METABOLIZED BY PHENYLACETYL-COA: L-GLUTAMINE-N-ACETYLTRANSFERASE
COMPOUND THAT CONJUGATES WITH GLUTAMINE VIA ACETYLATION TO FORM PHENYLACETYLGLUTAMINE
PHENYLACETYLGLUTAMINE THEN IS EXCRETED BY THE KIDNEYS
ON A MOLAR BASIS, IT IS COMPARABLE TO UREA (EACH CONTAINING TWO MOLES OF NITROGEN)
THEREFORE, PHENYLACETYLGLUTAMINE PROVIDES AN ALTERNATE VEHICLE FOR WASTE NITROGEN EXCRETION

ROUTE (list)

-

NATURAL MOLECULE (link)

ATC code

A16AX09

PK parameters

Tmax 3.7 HOUR
PPB 51 PERCENT
t1/2 1.15 HOUR

Solubility

SOLUBLE IN WATER


Target

TARGET PHENYLACETYL-COA: L-GLUTAMINE-N-ACETYLTRANSFERASE

PDB
2ISF (CRYSTAL STRUCTURE OF C298A W219Y ALDOSE REDUCTASE COMPLEXED WITH PHENYLACETIC ACID)

Ligand code = PAC (link to the list of PDB complexes)

Download experimental 3D coordinates of PAC with added hydrogens

DrugCentral

Unknown

Download SDF file Benzeneacetic acid

Formula:
C8H8O2

Calculated chemical properties:

MW 135.14
NB_atoms 10
XLogP -0.02
PSA 35.691
NB_HD 0
NB_HA 2
fsp3 0.12
Lipinski(0=no;1=yes) 1

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL