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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL286204
CHEMBL286204
Compound Name QUINOLINIC ACID
ChEMBL Synonyms Quinolinic Acid | Pyridine-2,3-Dicarboxylic Acid
Max Phase 0
Trade Names
Molecular Formula C7H5NO4

Additional synonyms for CHEMBL286204 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cccnc1C(=O)O
Standard InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10 ...
Download InChI
Standard InChI Key GJAWHXHKYYXBSV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL286204

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
167.1 167.0219 0.37 2 87.49 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.52 5.12 -.44 -4.57 1 12 0.66

Structural Alerts

There are 2 structural alerts for CHEMBL286204. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GJAWHXHKYYXBSV-UHFFFAOYSA-N
PubChem SID: 11111698 SID: 11113416 SID: 124881252 SID: 144212368 SID: 26747101 SID: 50104349 SID: 57260132 SID: 90341105
Wikipedia Quinolinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL286204



ACToR 89-00-9
BindingDB 26115
Brenda 9253 43019 2500 106051 189629 18291 1765
ChEBI 16675
DrugBank DB01796
eMolecules 489903
EPA CompTox Dashboard DTXSID8041327
FDA SRS F6F0HK1URN
Human Metabolome Database HMDB0000232
IBM Patent System 9117CEF3FBE20250AD6602CD82A553C3
KEGG Ligand C03722
Mcule MCULE-7041185901
Metabolights MTBLC16675
MolPort MolPort-000-140-640
Nikkaji J4.298F
NMRShiftDB 20032289
PDBe NTM
PubChem 1066
PubChem: Thomson Pharma 15120397
SureChEMBL SCHEMBL69230
ZINC ZINC000000331671

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