Molecular Details
DICL_CP_0350313
- ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0350313
PubChem CID
Molecular Formula
C14H10ClN7O3 Molecular Weight
359.733 g/mol
Synonyms/Alias
['CHEMBL314956']
InChI Key
NQHPVDWMKDTWRF-UHFFFAOYSA-N
InChI
InChI=1S/C14H10ClN7O3/c1-2-25-14(24)11-19-12-13(23)18-8-3-7(15)9(21-5-16-17-6-21)4-10(8)22(12)20-11/...
IUPAC Name
ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
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
35 38 0 0 0 0 0 0 0 0999 V2000
6.9048 0.4638 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6878 1.2682 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5094 0.495...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 1
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 15000 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
25
Rotatable Bonds
3
logP
0.9816
Complexity
86.9972
TPSA (Ų)
120.06
H-Bond Donors
1
H-Bond Acceptors
9
Ring Count
4