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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1688964
CHEMBL1688964
Compound Name 8-HYDROXYGUANOSINE
ChEMBL Synonyms 8-Hydroxyguanosine
Max Phase 0
Trade Names
Molecular Formula C10H13N5O6

Additional synonyms for CHEMBL1688964 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=Nc2c(nc(O)n2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1
Standard InChI InChI=1S/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5 ...
Download InChI
Standard InChI Key FPGSEBKFEJEOSA-UMMCILCDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1688964

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
299.2 299.0866 -2.98 2 179.74 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 1 11 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.46 2.79 -1.39 -1.42 2 21 0.34

Structural Alerts

There are no structural alerts for CHEMBL1688964

Compound Cross References

ChemSpider ChemSpider:FPGSEBKFEJEOSA-UMMCILCDSA-N
Wikipedia 8-Hydroxyguanosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1688964



ChEBI 90031
eMolecules 4823286 1933409
Human Metabolome Database HMDB0002044
IBM Patent System B4C649FB74B23CE5CEE93218D3968367
Mcule MCULE-1659506448
MolPort MolPort-002-525-860 MolPort-002-054-630
Nikkaji J401.226G
PubChem 65131
PubChem: Thomson Pharma 14949309 16426162
SureChEMBL SCHEMBL114651
ZINC ZINC000008952459

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