Molecular Details
DICL_CP_0306999
- tetramethylazanium
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0306999
PubChem CID
Molecular Formula
C4H12N+ Molecular Weight
74.147 g/mol
Synonyms/Alias
[Tetramethylammonium; tetramethylazanium; 51-92-3; TETRAMETHYLAMMONIUM ION; N;N;N-trimethylmethanaminium; Methanaminium; N;N;N-trimethyl-; CHEMBL46486; CHEBI:46020; H0W55235FC; Tetramethylammonium pen...
InChI Key
QEMXHQIAXOOASZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
IUPAC Name
tetramethylazanium
CAS Number
54712-57-1
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
-0.2191 -1.2945 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.0000 0.0000 N 0 0 0 0 0 4 0 0 0 0 0 0
0.0459 1.085...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 24 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] S(-)-nicotine)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
5
Rotatable Bonds
0
logP
0.3224
Complexity
23.9564
TPSA (Ų)
0
H-Bond Donors
0
H-Bond Acceptors
0
Ring Count
0