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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232297
CHEMBL1232297
Compound Name DNQX
ChEMBL Synonyms DNQX | SID50104333 | SID85230996
Max Phase 0
Trade Names
Molecular Formula C8H2N4O6

Additional synonyms for CHEMBL1232297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1[N+](=O)[O-]
Standard InChI InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1- ...
Download InChI
Standard InChI Key YEUPBRRGMWBCEB-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL1232297

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
250.1 249.9974 0.24 0 2 No No NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - .21 .21 0 18 4 0.29

Compound Cross References

ChemSpider ChemSpider:YEUPBRRGMWBCEB-UHFFFAOYSA-N
PubChem SID: 11111042 SID: 11113400 SID: 24786908 SID: 26751640 SID: 50104333 SID: 85230996
Wikipedia DNQX

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232297



DrugBank DB03759
PDBe DNQ
IBM Patent System 839B4185D8958E4DAB06F568B815B201
Patent EP1002535A1 WO2000024395A1 EP0778023A1 EP0516795B1 EP0516795A1 US5039528 EP0432994A3
PubChem: Thomson Pharma 14749818
PubChem 3140

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