Molecular Details
DICL_CP_0308406
- 14-dihydroquinoxaline-23-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308406
PubChem CID
Molecular Formula
C8H6N2O2 Molecular Weight
162.148 g/mol
Synonyms/Alias
[23-Dihydroxyquinoxaline; 15804-19-0; Quinoxaline-23-diol; Quinoxaline-23(1H4H)-dione; 23-QUINOXALINEDIOL; 14-Dihydro-23-quinoxalinedione; 23-Quinoxalinedione; 14-dihydro-; 14-dihydroquinoxaline-23-di...
InChI Key
ABJFBJGGLJVMAQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
IUPAC Name
14-dihydroquinoxaline-23-dione
CAS Number
6639-79-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 19 0 0 0 0 0 0 0 0999 V2000
-2.2379 1.1332 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5035 -0.2378 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4553 -1.150...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit kainate 3
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 129000 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
12
Rotatable Bonds
0
logP
0.2164
Complexity
45.1894
TPSA (Ų)
65.72
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2