Molecular Details
DICL_CP_0310609
- 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310609
PubChem CID
Molecular Formula
C12H16N2 Molecular Weight
188.274 g/mol
Synonyms/Alias
[91556-75-1; RJR-2429; 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane; 2-(3-Pyridyl)-1;4-ethanopiperidine; RJR-2429 2HCL; CHEMBL105374; TC-2429; 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane; RJR 2429 (hydrochl...
InChI Key
YJYPZLAZNIGNRP-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
IUPAC Name
2-pyridin-3-yl-1-azabicyclo[2.2.2]octane
CAS Number
91556-75-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 32 0 0 0 0 0 0 0 0999 V2000
-2.6308 -0.0502 1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 -1.2133 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4653 -1.094...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-3/beta-4
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 400 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
Room Temperature
Test Method
Binding assay ([125I] alpha-Conotoxin MII)
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
14
Rotatable Bonds
1
logP
2.2384
Complexity
55.892
TPSA (Ų)
16.13
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
4