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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL793
CHEMBL793
Compound Name
ChEMBL Synonyms 1-Methyluric Acid
Max Phase 0
Trade Names
Molecular Formula C6H6N4O3

Additional synonyms for CHEMBL793 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)NC2=C(NC(=O)N2)C1=O
Standard InChI InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,( ...
Download InChI
Standard InChI Key QFDRTQONISXGJA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL793

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
182.1 182.044 -1.76 0 103.51 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.6 - -.64 -2.62 2 13 0.45

Structural Alerts

There are no structural alerts for CHEMBL793

Compound Cross References

ChemSpider ChemSpider:QFDRTQONISXGJA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL793



ACToR 708-79-2
Brenda 19868 23326
ChEBI 68441
eMolecules 528944
EPA CompTox Dashboard DTXSID70221063
FDA SRS 2WS4HQ639J
Human Metabolome Database HMDB0003099
IBM Patent System B2E671BD84326E8655CE594BF7623CC8
KEGG Ligand C16359
Metabolights MTBLC68441
MolPort MolPort-003-824-630
Nikkaji J94.928K
PubChem 69726
PubChem: Thomson Pharma 15364323
SureChEMBL SCHEMBL235671
ZINC ZINC000001845780

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