Molecular Details
DICL_CP_0307395
- (3S)-4-amino-3-hydroxybutanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307395
PubChem CID
Molecular Formula
C4H9NO3 Molecular Weight
119.12 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
YQGDEPYYFWUPGO-VKHMYHEASA-N
InChI
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
IUPAC Name
(3S)-4-amino-3-hydroxybutanoic 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
17 16 0 0 0 0 0 0 0 0999 V2000
-2.7037 0.6357 0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6518 -0.3540 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2474 0.233...
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: 400 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
8
Rotatable Bonds
3
logP
-1.2193
Complexity
27.314
TPSA (Ų)
83.55
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0