Molecular Details
DICL_CP_0322010
- 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322010
PubChem CID
Molecular Formula
C17H15N3O Molecular Weight
277.327 g/mol
Synonyms/Alias
[76081-98-6; Sch 28080; Sch-28080; 2-methyl-8-(phenylmethoxy)imidazo[1;2-a]pyridine-3-acetonitrile; SCH28080; 2-(8-(benzyloxy)-2-methylimidazo[1;2-a]pyridin-3-yl)acetonitrile; Imidazo(1;2-a)pyridine-3...
InChI Key
PYKJFEPAUKAXNN-UHFFFAOYSA-N
InChI
InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1...
IUPAC Name
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetonitrile
CAS Number
76081-98-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 23 0 0 0 0 0 0 0 0999 V2000
-3.7511 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9686 1.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5440 -0...
Experimental Data
Activity Data
Target Ion Channel
Inwardly rectifying subfamily J member 13
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >100000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
AtT-20 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
4
logP
3.2878
Complexity
80.02
TPSA (Ų)
50.32
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3