Molecular Details
DICL_CP_0307415
- 2-pyridin-3-ylethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307415
PubChem CID
Molecular Formula
C7H10N2 Molecular Weight
122.171 g/mol
Synonyms/Alias
[20173-24-4; 3-(2-Aminoethyl)pyridine; 2-(pyridin-3-yl)ethanamine; 3-aminoethylpyridine; 2-pyridin-3-ylethanamine; 3-Pyridineethanamine; 3-PYRIDINEETHANEAMINE; 2-(Pyridin-3-Yl)Ethan-1-Amine; 2-(3-Pyri...
InChI Key
NAHHNSMHYCLMON-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2
IUPAC Name
2-pyridin-3-ylethanamine
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
19 19 0 0 0 0 0 0 0 0999 V2000
2.5453 0.9242 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1857 0.9651 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4135 -0.203...
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: 8511 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
2
logP
0.5828
Complexity
36.9954
TPSA (Ų)
38.91
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
1