Molecular Details
DICL_CP_0307149
- 4-aminobutanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307149
PubChem CID
Molecular Formula
C4H9NO2 Molecular Weight
103.121 g/mol
Synonyms/Alias
[4-aminobutyric acid; 4-Aminobutanoic acid; gamma-aminobutyric acid; GABA; 56-12-2; Piperidic acid; Piperidinic acid; Aminalon; Gaballon; Gammalon; Gammalone; Gammasol; Mielogen; Mielomade; Gamarex; G...
InChI Key
BTCSSZJGUNDROE-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
IUPAC Name
4-aminobutanoic acid
CAS Number
56-12-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
16 15 0 0 0 0 0 0 0 0999 V2000
-0.4750 0.6127 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0005 0.3943 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8710 0.366...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2S
Uniprot Accession Number
Function
Allosteric Modulator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 9200 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
−90 to 40 mV mV
Temperature
18 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
GABA site
Disease Information
Related Disease
anxiolytic
References
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
3
logP
-0.1901
Complexity
25.9242
TPSA (Ų)
63.32
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
0