Structure

InChI Key SPXYHZRWPRQLNS-UHFFFAOYSA-N
Smiles O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21
InChI
InChI=1S/C13H9N5O6/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22/h1-4,6H,5H2,(H,15,21)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H9N5O6
Molecular Weight 331.24
AlogP -0.13
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 153.12
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 24.0

Bioactivity

Mechanism of Action Action Reference
Glutamate receptor ionotropic AMPA antagonist ANTAGONIST PubMed PubMed Other
Protein: Glutamate receptor ionotropic AMPA

Description: Glutamate receptor 1

Organism : Homo sapiens

P42261 ENSG00000155511
Protein: Glutamate receptor ionotropic AMPA

Description: Glutamate receptor 2

Organism : Homo sapiens

P42262 ENSG00000120251
Protein: Glutamate receptor ionotropic AMPA

Description: Glutamate receptor 3

Organism : Homo sapiens

P42263 ENSG00000125675
Protein: Glutamate receptor ionotropic AMPA

Description: Glutamate receptor 4

Organism : Homo sapiens

P48058 ENSG00000152578
Assay Description Organism Bioactivity Reference
Binding affinity for ionotropic glutamate receptor AMPA using [3H]AMPA as radioligand, bound to synaptic membranes prepared from rat cerebral cortex None 62.0 nM
Displacement of [3H]AMPA (5 nM) from ionotropic glutamate receptor AMPA of rat cerebral cortex synaptic membrane preparation Rattus norvegicus 62.0 nM
Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane Rattus norvegicus 96.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL119625
FDA SRS 9X33544ILS
PubChem 9798437
SureChEMBL SCHEMBL678832
ZINC ZINC000001891930