Molecular Details
DICL_CP_0324383
- N-[23-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0324383
PubChem CID
Molecular Formula
C11H8F3N3O3 Molecular Weight
287.197 g/mol
Synonyms/Alias
InChI Key
BJMPWASBFNQENF-UHFFFAOYSA-N
InChI
InChI=1S/C11H8F3N3O3/c1-5(18)16-17-8-3-2-6(11(12,13)14)4-7(8)15-9(19)10(17)20/h2-4H,1H3,(H,15,19)(H,...
IUPAC Name
N-[23-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetamide
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
28 29 0 0 0 0 0 0 0 0999 V2000
-4.2285 -1.6669 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2359 -0.6078 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4238 0.110...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subuint kainate 5
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >100000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.1
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay
Test Species
Rattus norvegicus brain synaptosomal membrane
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
[3H]-kainate
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
1
logP
0.7986
Complexity
63.8724
TPSA (Ų)
83.96
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
2