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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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 NEUTRAL


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
- 8.22 3.8 2.87 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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