Molecular Details
DICL_CP_0315151
- 7-nitro-23-dioxo-14-dihydroquinoxaline-6-carbonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315151
PubChem CID
Molecular Formula
C9H4N4O4 Molecular Weight
232.155 g/mol
Synonyms/Alias
[CNQX; 115066-14-3; 6-CYANO-7-NITROQUINOXALINE-23-DIONE; 7-Nitro-23-dioxo-1234-tetrahydroquinoxaline-6-carbonitrile; 7-nitro-23-dioxo-14-dihydroquinoxaline-6-carbonitrile; 6-Quinoxalinecarbonitrile; 1...
InChI Key
RPXVIAFEQBNEAX-UHFFFAOYSA-N
InChI
InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
IUPAC Name
7-nitro-23-dioxo-14-dihydroquinoxaline-6-carbonitrile
CAS Number
115066-14-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 22 0 0 0 0 0 0 0 0999 V2000
-0.5377 -1.4707 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7661 -0.8025 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7978 0.604...
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: 8400 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]-AMPA
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
1
logP
-0.0037
Complexity
56.5588
TPSA (Ų)
132.65
H-Bond Donors
2
H-Bond Acceptors
5
Ring Count
2