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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL219568
CHEMBL219568
Compound Name GUANINE
ChEMBL Synonyms Guanine
Max Phase 0
Trade Names
Molecular Formula C5H5N5O

Additional synonyms for CHEMBL219568 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=Nc2[nH]cnc2C(=O)N1
Standard InChI InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8, ...
Download InChI
Standard InChI Key UYTPUPDQBNUYGX-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL219568

Alternate Forms of Compound in ChEMBL


CHEMBL219568

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
151.1 151.0494 -0.94 0 96.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.63 3.4 -.96 -.96 1 11 0.45

Compound Cross References

ChemSpider ChemSpider:UYTPUPDQBNUYGX-UHFFFAOYSA-N
Wikipedia Guanine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL219568



ACToR 11006-44-3
BindingDB 50200094
ChEBI 16235
eMolecules 1944819 515658 27678147 6217528 628576
FDA SRS 5Z93L87A1R
Guide to Pharmacology 4556
Human Metabolome Database HMDB00132
IBM Patent System DACD7F73B4CC8A4C61D141A1AD28ECFC 3CDEDEFAAB44F90583D37FEB7665EF3E
KEGG Ligand C00242
Mcule MCULE-7938010131
MolPort MolPort-000-757-423 MolPort-002-507-335 MolPort-000-891-035 MolPort-006-724-705
Nikkaji J9.344K
NMRShiftDB 10025984
PDBe GUN
PubChem 764
PubChem: Thomson Pharma 14891624 16020045 16105542
Recon gua
SureChEMBL SCHEMBL5259 SCHEMBL16389311
ZINC ZINC00895129

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