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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL222519
CHEMBL222519
Compound Name NBQX
ChEMBL Synonyms NBQX
Max Phase 0
Trade Names
Molecular Formula C12H8N4O6S

Additional synonyms for CHEMBL222519 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1cccc2c3nc(O)c(O)nc3cc(c12)[N+](=O)[O-]
Standard InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4- ...
Download InChI
Standard InChI Key UQNAFPHGVPVTAL-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL222519

Alternate Forms of Compound in ChEMBL


CHEMBL222519

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
336.3 336.0165 1.4 2 180.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.72 - 2.03 -.59 3 23 0.36

Compound Cross References

ChemSpider ChemSpider:UQNAFPHGVPVTAL-UHFFFAOYSA-N
PubChem SID: 11113470 SID: 26751693
Wikipedia NBQX

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL222519



ACToR 118876-58-7
BindingDB 50207594
ChEBI 31073
eMolecules 715724
Guide to Pharmacology 4264
IBM Patent System B12369A028FAD4F2A054819F5495FF50
KEGG Ligand C13667
LINCS LSM-3054
MolPort MolPort-003-849-600
PubChem 3272524
PubChem: Thomson Pharma 15397501 14777739
SureChEMBL SCHEMBL120375
ZINC ZINC08585017

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