Molecular Details
DICL_CP_0325046
- 4-amino-6-nitro-7-(trifluoromethyl)-1H-quinoxaline-23-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0325046
PubChem CID
Molecular Formula
C9H5F3N4O4 Molecular Weight
290.157 g/mol
Synonyms/Alias
[QZCXNVMVONKUKL-UHFFFAOYSA-N; 4-amino-6-nitro-7-(trifluoromethyl)-1H-quinoxaline-23-dione]
InChI Key
QZCXNVMVONKUKL-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F3N4O4/c10-9(11,12)3-1-4-6(2-5(3)16(19)20)15(13)8(18)7(17)14-4/h1-2H,13H2,(H,14,17)
IUPAC Name
4-amino-6-nitro-7-(trifluoromethyl)-1H-quinoxaline-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
25 26 0 0 0 0 0 0 0 0999 V2000
-0.6460 -1.5139 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7900 -0.7068 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6251 0.686...
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
0.3306
Complexity
60.6355
TPSA (Ų)
124.02
H-Bond Donors
2
H-Bond Acceptors
6
Ring Count
2