Structure

InChI Key SPXYHZRWPRQLNS-UHFFFAOYSA-N
Smile 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

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stroke 2 D020521 ClinicalTrials
Ischemic Stroke 2 D000083242 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL119625
EPA CompTox DTXSID50175232
FDA SRS 9X33544ILS
PubChem 9798437
SureChEMBL SCHEMBL678832
ZINC ZINC000001891930