Molecular Details
DICL_CP_0338582
- 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0338582
PubChem CID
Molecular Formula
C12H6ClN7O3 Molecular Weight
331.679 g/mol
Synonyms/Alias
['TQX-173'; 'CHEMBL267276'; '7-Chloro-4-oxo-8-[1;2;4]triazol-4-yl-4;5-dihydro-[1;2;4]triazolo[1;5-a]quinoxaline-2-carboxylic acid'; 'SCHEMBL2038719'; 'BDBM...
InChI Key
QYMZRTSHYZACQA-UHFFFAOYSA-N
InChI
InChI=1S/C12H6ClN7O3/c13-5-1-6-8(2-7(5)19-3-14-15-4-19)20-10(11(21)16-6)17-9(18-20)12(22)23/h1-4H,(H...
IUPAC Name
7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
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
29 32 0 0 0 0 0 0 0 0999 V2000
-1.5420 -2.2512 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1775 -1.9390 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2238 -0.583...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 1
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 2300 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
2
logP
0.5031
Complexity
78
TPSA (Ų)
131.06
H-Bond Donors
2
H-Bond Acceptors
8
Ring Count
4