Molecular Details
DICL_CP_0319366
- 1-amino-7-fluoro-6-(trifluoromethyl)-14-dihydroquinoxaline-23-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319366
PubChem CID
N/A (Not available)
Molecular Formula
C9H5F4N3O2 Molecular Weight
263.15 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
WCULEOJRICDBGP-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F4N3O2/c10-4-2-6-5(1-3(4)9(11,12)13)15-7(17)8(18)16(6)14/h1-2H,14H2,(H,15,17)
IUPAC Name
1-amino-7-fluoro-6-(trifluoromethyl)-14-dihydroquinoxaline-23-dione
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
23 24 0 0 0 0 0 0 0 0999 V2000
-2.6849 -1.7790 -0.0973 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0576 -0.5184 0.0066 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8388 0.595...
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
18
Rotatable Bonds
0
logP
0.5615
Complexity
53.9391
TPSA (Ų)
80.88
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
2