Molecular Details
DICL_CP_0307216
- 4-aminobutanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307216
PubChem CID
Molecular Formula
C4H9NO2 Molecular Weight
103.121 g/mol
Synonyms/Alias
N/A (Not available)
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
N/A (Not available)
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
-2.2424 -0.9399 0.7503 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0280 -0.1306 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5199 0.034...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit gamma-1
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 33 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.1
Holding Potential
Not specified
Temperature
4 ℃
Test Method
Binding assay ([3H] GABA)
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
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