Molecular Details
DICL_CP_0307438
- 1-methyl-1-azoniabicyclo[2.2.2]octane
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307438
PubChem CID
Molecular Formula
C8H16N+ Molecular Weight
126.223 g/mol
Synonyms/Alias
[CHEMBL389799; 1-methyl-1-azoniabicyclo[2.2.2]octane; 15302-92-8; SCHEMBL1696204; DTXSID20276447; BDBM50204415; 1-methyl-1-azonia-bicyclo[2.2.2]octane]
InChI Key
MFQQHFRKVCFEBQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16N/c1-9-5-2-8(3-6-9)4-7-9/h8H,2-7H2,1H3/q+1
IUPAC Name
1-methyl-1-azoniabicyclo[2.2.2]octane
CAS Number
869113-09-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
2.3124 -0.4343 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8674 -0.1629 0.0944 N 0 0 0 0 0 4 0 0 0 0 0 0
0.0846 -1.384...
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: 40000 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
Not mention
Test Method
Binding assay
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
9
Rotatable Bonds
0
logP
1.2467
Complexity
38.1264
TPSA (Ų)
0
H-Bond Donors
0
H-Bond Acceptors
0
Ring Count
3