Molecular Details
DICL_CP_0307253
- 3-hydroxybutanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307253
PubChem CID
Molecular Formula
C4H8O3 Molecular Weight
104.105 g/mol
Synonyms/Alias
[3-hydroxybutyric acid; 3-hydroxybutanoic acid; 300-85-6; Butanoic acid; 3-hydroxy-; 625-71-8; beta-Hydroxybutyric acid; DL-3-Hydroxybutyric Acid; 3 HBA; 3-Hydroxybuttersaeure; Butyric acid; 3-hydroxy...
InChI Key
WHBMMWSBFZVSSR-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
IUPAC Name
3-hydroxybutanoic acid
CAS Number
300-85-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
15 14 0 0 0 0 0 0 0 0999 V2000
-1.8760 -0.7218 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6691 0.1931 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6223 -0.632...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2/3
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 700 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.6
Holding Potential
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
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
2
logP
-0.1581
Complexity
23.9336
TPSA (Ų)
57.53
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
0