Molecular Details
DICL_CP_0374265
- N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0374265
PubChem CID
Molecular Formula
C18H18BrN3OS Molecular Weight
404.333 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
ZGCKDVLTMBIQTH-UHFFFAOYSA-N
InChI
InChI=1S/C18H18BrN3OS/c19-13-8-9-15-20-16(14-7-4-10-24-14)17(22(15)11-13)21-18(23)12-5-2-1-3-6-12/h4...
IUPAC Name
N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
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
24 27 0 0 0 0 0 0 0 0999 V2000
-1.1217 -5.1454 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.7440 -3.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2371 -3...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 10100 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 7.3
Holding Potential
Not specified
Temperature
21 °C
Test Method
Binding assay ([3H] EBOB)
Test Species
HEK 293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
24
Rotatable Bonds
3
logP
5.3441
Complexity
101.4097
TPSA (Ų)
46.4
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4