General
Preferred name
¦Ã-Guanidinobutyric acid
Synonyms
4-GBA ()
4-Guanidinobutyric acid ()
4-Guanidinobutanoic acid ()
4-Guanidinobutanoate, gamma-Guanidinobutyric acid, gamma-Guanidinobutanoate ()
P&D ID
PD098781
CAS
463-00-3
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-Guanidinobutanoic acid is a normal metabolite present in low concentrations. It inhibits sodium- and chloride-dependent GABA transporter 3 with IC50 = 3µM. (Enamine Bioactive Compounds)
DESCRIPTION 4-Guanidinobutanoic acid (4-GBA) is an L-arginine metabolite that has been used in the intestinal transport tranport studies. It has been specifically use to human proton coupled amino acid transporters hPAT1. (TargetMol Bioactive Compound Library)
Compound Sets
4
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
145.09
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.88
TPSA
101.7
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
0.0
QED
0.27
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Human Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Metabolism
Source data