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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 SID11110895 | SID11113401 | SID26751641 | SID50106152 | SID57265698 | SID90340562 | 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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

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 #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
232.2 232.0233 1.66 0 1 No No ACID


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

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



KEGG Ligand C13668
eMolecules 8200613 535773
IBM Patent System FB740CC516C61CA0637E625D32A275E6
Patent EP0260467B1 US4812458 EP0260467A2
FDA SRS 6OTE87SCCW
PubChem: Thomson Pharma 14798224 15366159 14749366
PubChem 3721046
Mcule MCULE-3723384512

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