Molecular Details
DICL_CP_0307268
- 2-hydroxyethyl(trimethyl)azanium
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307268
PubChem CID
Molecular Formula
C5H14NO+ Molecular Weight
104.173 g/mol
Synonyms/Alias
[choline; Choline ion; Bilineurine; 62-49-7; Choline cation; 2-Hydroxy-N;N;N-trimethylethanaminium; Cholinum; Ethanaminium; 2-hydroxy-N;N;N-trimethyl-; (2-Hydroxyethyl)trimethylammonium; trimethyletha...
InChI Key
OEYIOHPDSNJKLS-UHFFFAOYSA-N
InChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
IUPAC Name
2-hydroxyethyl(trimethyl)azanium
CAS Number
14629-01-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 20 0 0 0 0 0 0 0 0999 V2000
-0.9617 0.4741 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5052 0.1409 -0.2889 N 0 0 0 0 0 4 0 0 0 0 0 0
-0.9404 -1.234...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-7
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 29250 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
TE671 cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
2
logP
-0.3151
Complexity
29.9852
TPSA (Ų)
20.23
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0