Molecular Details
DICL_CP_0308930
- 3-[[(2S)-azetidin-2-yl]methoxy]pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308930
PubChem CID
Molecular Formula
C9H12N2O Molecular Weight
164.208 g/mol
Synonyms/Alias
[161416-98-4; A-85380; (S)-3-(AZETIDIN-2-YLMETHOXY)PYRIDINE; 3-[[(2S)-azetidin-2-yl]methoxy]pyridine; A 85380; CHEMBL59986; A85380; 3-(2-azetidinylmethoxy)pyridine; SCHEMBL676026; A-159470; GTPL5460; ...
InChI Key
XKFMBGWHHBCWCD-QMMMGPOBSA-N
InChI
InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
IUPAC Name
3-[[(2S)-azetidin-2-yl]methoxy]pyridine
CAS Number
198283-73-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 25 0 0 0 0 0 0 0 0999 V2000
-3.2550 0.6134 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6501 -0.0223 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4847 -0.908...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 1
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
3
logP
0.8223
Complexity
46.1397
TPSA (Ų)
34.15
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2