General
Preferred name
N-acetyl GABA
Synonyms
4-ACETAMIDOBUTYRIC ACID ()
4-Acetamidobutanoic acid ()
P&D ID
PD063936
CAS
3025-96-5
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION 4-Acetamidobutanoic acid is the main metabolite of GABA. It exhibits antioxidant and antibacterial activities. It is also an agonist of Gamma-aminobutyric acid receptor subunit alpha-5, EC50= 5.8 µM. (Enamine Bioactive Compounds)
DESCRIPTION 4-Acetamidobutanoic acid (4-ACETAMIDOBUTYRIC ACID) can be found in blood, feces, and urine, as well as in human prostate tissue. 4-Acetamidobutanoic acid exists in all eukaryotes, ranging from yeast to humans. 4-Acetamidobutanoic acid is a GABA derivative, a product of the urea cycle and the metabolism of amino groups, and the product of NAD-linked aldehyde dehydrogenase (EC 1.2.1.3) (KEGG). (TargetMol Bioactive Compound Library)
Compound Sets
5
Cayman Chemical Bioactives
29881
Enamine Bioactive Compounds
EBC-154047
MedChem Express Bioactive Compound Library
HY-101411
Selleckchem Bioactive Compound Library
4-acetamidobutyric-acid
TargetMol Bioactive Compound Library
T4728
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
145.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.01
TPSA
66.4
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
0.0
QED
0.55
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
Endogenous Metabolite
GABA Receptor
Human Endogenous Metabolite
Pathway
Anti-infection
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Neuronal Signaling
Metabolism
Microbiology/virology
Neuroscience
Source data