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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

Structural Alerts

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

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

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
eMolecules 8200613 535773
FDA SRS 6OTE87SCCW
Guide to Pharmacology 4081 5475
IBM Patent System FB740CC516C61CA0637E625D32A275E6
IBM Patents WO1994000124A1 US20030215959 US6147075 EP0260467B1 WO2006010591A2 US20100144747 US5622952 EP1773788A2 US7081346 US5620979 WO2010057647A2 US7655666 EP1871749A1 EP0732942A1 US5977107 US6251903 EP0647137A1 US4812458 US20070208018 WO1996040141A1 EP0260467A2 EP0647137B1 US20100196354 US5514680 US5631373 US20080153836 WO2006108591A1
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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