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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

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

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL2104034

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

Compound Cross References

ChemSpider ChemSpider:GOVNVPJYMDJYSR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104034



ACToR 26976-72-7
FDA SRS F777XEP0LL
IBM Patent System FFBBBA586FEBCA1E6019EA7AEDB0B8F7
IBM Patents US4714777 EP1255759A1 US7550540 US20060205812 EP0150943A2 WO2006014484A2 EP0547231B1 EP0232435A2 US6297283 WO1994000121A1 US6815544 EP1244668B1 WO2008021298A1 US20040214755 US5665887 US20050107354 EP0465426A1 EP0131176A1 US4994483 EP1362856B1 WO2010063030A2 US6251962 US4570534 US20100112090 WO1993023042A1 US5679733 US4436663 US7230023 EP1809286A2 US20070105829 US20060116361 EP1362856A1 US20060128985 WO1998037105A1 US7763108 US20060035844 US6448243 US5130469 EP0257504A2 US4738985 WO2008065448A1 WO2004050599A1 US5597943 US7846246 EP0926138A1 EP0530994A1 EP0976732A1 US20060110428 US4652653 US4347184 WO2005118519A1 US20070059292 WO2008021356A2 US20050208537 US4011239 US20040141922 EP1017381B1 EP0105193A2 EP0605462B1 US20010039279 US7071201 EP1950260A1 US6849646 US20080145628 WO2001049688A1 EP0950649A1 US4741915 EP2139892A1 US6828316 US6579881 US20080269220 US4556735 US20050100518 EP0961787B1 US20080039645 EP1666050A1 US7816344 EP1331221A1 EP0257504B1 US20060202172 US4536451 EP0961787A1 US7217832 EP0235408B1 EP0151216A1 US20080039562 US4469694 US3980670 US20080318849 US7635684 US20050143457 WO2006053186A2 WO2008113711A1 US7786165 US20080039561 US6264917 US6506558 US5990162 US7368584 EP0950649B1
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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