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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
267.2 267.0968 -0.84 2 139.54 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.34 9.85 -1.85 -4.35 2 19 0.55

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
ChEBI 17172
eMolecules 713372 29479685 12763580
FDA SRS G9481N71RO
Human Metabolome Database HMDB00085
IBM Patent System 06B76F18FA81D95334574801D05EC15D
KEGG Ligand C00330
Mcule MCULE-5458121764
Metabolights MTBLC17172
MolPort MolPort-003-866-543 MolPort-009-683-201 MolPort-006-112-721
Nikkaji J13.863K
PDBe GNG
PubChem 187790
PubChem: Thomson Pharma 16412916 16277956 15197244 15197245
Recon dgsn
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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