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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104034
CHEMBL2104034
Compound Name ACEBURIC ACID
ChEMBL Synonyms ACEBURIC ACID
Max Phase 0
Trade Names
Molecular Formula C6H10O4

Additional synonyms for CHEMBL2104034 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)OCCCC(=O)O
Standard InChI InChI=1S/C6H10O4/c1-5(7)10-4-2-3-6(8)9/h2-4H2,1H3,(H,8,9)
Standard InChI Key GOVNVPJYMDJYSR-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2104034

Molecule Features

CHEMBL2104034 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ACEBURIC ACID
The Cochrane Collaboration ACEBURIC ACID

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
146.1 146.0579 0.07 5 63.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.58 - .08 -2.7 0 10 0.44

Structural Alerts

There are 4 structural alerts for CHEMBL2104034. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GOVNVPJYMDJYSR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104034



ACToR 26976-72-7
EPA CompTox Dashboard DTXSID70181476
FDA SRS F777XEP0LL
IBM Patent System FFBBBA586FEBCA1E6019EA7AEDB0B8F7
Nikkaji J2.364.532G
PubChem 176865
PubChem: Thomson Pharma 15243051
SureChEMBL SCHEMBL1114185

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