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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279956
CHEMBL279956
Compound Name QUISQUALATE
ChEMBL Synonyms quisqualic acid | Quisqualate
Max Phase 0
Trade Names
Molecular Formula C5H7N3O5

Additional synonyms for CHEMBL279956 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CN1OC(=O)NC1=O)C(=O)O
Standard InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2 ...
Download InChI
Standard InChI Key ASNFTDCKZKHJSW-REOHCLBHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279956

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
189.1 189.0386 -4.08 3 121.96 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.12 10.05 -1.26 -3.78 0 13 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL279956. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ASNFTDCKZKHJSW-REOHCLBHSA-N
PubChem SID: 11113399 SID: 26751639 SID: 47193871 SID: 50104331 SID: 90341112
Wikipedia Quisqualic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279956



BindingDB 17660
Brenda 7343 44331 22005
ChEBI 8734
DrugBank DB02999
eMolecules 531293
FDA SRS 8OC22C1B99
Guide to Pharmacology 1372 1370
IBM Patent System B96FE8D0858D9105B9441F98BBB09044
KEGG Ligand C08296
MolPort MolPort-003-939-212
Nikkaji J9.726H
PDBe QUS
PubChem 6971145 40539
PubChem: Thomson Pharma 14867669
SureChEMBL SCHEMBL136819
ZINC ZINC000000897456

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