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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1767
CHEMBL1767
Compound Name
ChEMBL Synonyms 1,3,7-Trimethyluric Acid
Max Phase 0
Trade Names
Molecular Formula C8H10N4O3

Additional synonyms for CHEMBL1767 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O
Standard InChI InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13 ...
Download InChI
Standard InChI Key BYXCFUMGEBZDDI-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1767

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
210.2 210.0753 -1.15 0 72.96 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.85 - -.34 -1.4 0 15 0.55

Structural Alerts

There are no structural alerts for CHEMBL1767

Compound Cross References

ChemSpider ChemSpider:BYXCFUMGEBZDDI-UHFFFAOYSA-N
PubChem SID: 4265404

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1767



ACToR 5415-44-1
ChEBI 691622
EPA CompTox Dashboard DTXSID50202496
FDA SRS Z61UN6MHB7
Human Metabolome Database HMDB02123
IBM Patent System 03154AE5B09E5B57B534DD24AB62BC3D
KEGG Ligand C16361
Mcule MCULE-7349459926
MolPort MolPort-001-002-576
Nikkaji J2.233K
PubChem 79437
PubChem: Thomson Pharma 15488231
SureChEMBL SCHEMBL2037400
ZINC ZINC00391992

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