Molecular Details
DICL_CP_0307156
- 4-aminobutanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307156
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
-0.0772 -0.5890 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6028 0.5191 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0443 0.189...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor alpha-2
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 64000000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
−60 mV mV
Temperature
25 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
F174, F223, common binding region on αH1 and αH2 subunits
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
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