Molecular Details
DICL_CP_0307437
- (3R)-1-azabicyclo[2.2.2]octan-3-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307437
PubChem CID
Molecular Formula
C7H14N2 Molecular Weight
126.203 g/mol
Synonyms/Alias
[(R)-quinuclidin-3-amine; 123536-15-2; (3R)-1-azabicyclo[2.2.2]octan-3-amine; 1-Azabicyclo[2.2.2]octan-3-amine; (3R)-; (R)-1-Aza-bicyclo[2.2.2]oct-3-ylamine; (R)-3-aminoquinuclidine; CHEMBL1256003; 3(...
InChI Key
REUAXQZIRFXQML-ZETCQYMHSA-N
InChI
InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0/s1
IUPAC Name
(3R)-1-azabicyclo[2.2.2]octan-3-amine
CAS Number
135729-61-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 24 0 0 0 0 0 0 0 0999 V2000
-0.3730 -0.7691 -1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1476 0.5693 -1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9938 1.177...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-7
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 6309 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay ([3H] Epibatidine)
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
9
Rotatable Bonds
0
logP
0.0393
Complexity
37.1394
TPSA (Ų)
29.26
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3