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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

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

Structural Alerts

There are 8 structural alerts for CHEMBL222519. To view alerts please click here.

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
EPA CompTox Dashboard DTXSID60152256
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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