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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL222418
CHEMBL222418
Compound Name
ChEMBL Synonyms CNQX disodium
Max Phase 0
Trade Names
Molecular Formula C9H4N4O4

Additional synonyms for CHEMBL222418 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1nc2cc(C#N)c(cc2nc1O)[N+](=O)[O-]
Standard InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14) ...
Download InChI
Standard InChI Key RPXVIAFEQBNEAX-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL222418

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
232.2 232.0233 1.66 1 135.85 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.84 - 1.32 -1.36 2 17 0.56

Structural Alerts

There are 4 structural alerts for CHEMBL222418. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RPXVIAFEQBNEAX-UHFFFAOYSA-N
PubChem SID: 11113401 SID: 26751641
Wikipedia CNQX

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL222418



ACToR 115066-14-3
ChEBI 34468
eMolecules 8200613 535773
FDA SRS 6OTE87SCCW
Guide to Pharmacology 4081 5475
IBM Patent System FB740CC516C61CA0637E625D32A275E6
KEGG Ligand C13668
LINCS LSM-3184
Mcule MCULE-3723384512
MolPort MolPort-001-770-873 MolPort-002-800-869
PubChem 3721046
PubChem: Thomson Pharma 14798224 15366159 14749366
SureChEMBL SCHEMBL1662279

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RPXVIAFEQBNEAX-UHFFFAOYSA-N spacer
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