Molecular Details
DICL_CP_0317652
- 67-dinitro-14-dihydroquinoxaline-23-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317652
PubChem CID
Molecular Formula
C8H4N4O6 Molecular Weight
252.142 g/mol
Synonyms/Alias
[dnqx; 2379-57-9; 67-dinitro-14-dihydroquinoxaline-23-dione; FG-9041; 67-Dinitroquinoxaline-23(1H4H)-dione; 67-Dinitro-14-dihydro-quinoxaline-23-dione; 67-Dinitroquinoxaline-23-dione (DNQX); 23-Quinox...
InChI Key
RWVIMCIPOAXUDG-UHFFFAOYSA-N
InChI
InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)
IUPAC Name
67-dinitro-14-dihydroquinoxaline-23-dione
CAS Number
2379-57-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 23 0 0 0 0 0 0 0 0999 V2000
-0.4602 1.3055 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7695 0.6516 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8065 -0.664...
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: 7120 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
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
2
logP
0.0328
Complexity
58.4982
TPSA (Ų)
152
H-Bond Donors
2
H-Bond Acceptors
6
Ring Count
2