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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL68908
CHEMBL68908
Compound Name DEOXYGUANOSINE
ChEMBL Synonyms 2'-Deoxyguanosine | Deoxyguanosine
Max Phase 0
Trade Names
Molecular Formula C10H13N5O4

Additional synonyms for CHEMBL68908 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
Standard InChI InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4 ...
Download InChI
Standard InChI Key YKBGVTZYEHREMT-KVQBGUIXSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL68908

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
267.3 267.0968 -1.25 2 139.54 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.83 9.85 -1.85 -4.1 2 19 0.53

Structural Alerts

There are 1 structural alerts for CHEMBL68908. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YKBGVTZYEHREMT-KVQBGUIXSA-N
PubChem SID: 26755588
Wikipedia Deoxyguanosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL68908



ACToR 116002-28-9 38559-49-8
BindingDB 50422404
Brenda 36605 17821 504 732
ChEBI 17172
eMolecules 713372 29479685 12763580
EPA CompTox Dashboard DTXSID30883626
FDA SRS G9481N71RO
Human Metabolome Database HMDB0000085
IBM Patent System 06B76F18FA81D95334574801D05EC15D
KEGG Ligand C00330
Mcule MCULE-5458121764
Metabolights MTBLC17172
MolPort MolPort-002-054-611 MolPort-009-683-201
Nikkaji J13.863K
PDBe GNG
PubChem 187790
PubChem: Thomson Pharma 16412916 16277956 15197244 15197245
Recon dgsn
Rhea 17172
SureChEMBL SCHEMBL20615
ZINC ZINC000000404256

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