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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL66115
CHEMBL66115
Compound Name DEOXYCYTIDINE
ChEMBL Synonyms Deoxycytidine | 2'-Deoxycytidine
Max Phase 0
Trade Names
Molecular Formula C9H13N3O4

Additional synonyms for CHEMBL66115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO)O2
Standard InChI InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16 ...
Download InChI
Standard InChI Key CKTSBUTUHBMZGZ-SHYZEUOFSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL66115

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
227.2 227.0906 -1.63 2 108.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.26 -1.49 -1.49 0 16 0.52

Structural Alerts

There are no structural alerts for CHEMBL66115

Compound Cross References

ChemSpider ChemSpider:CKTSBUTUHBMZGZ-SHYZEUOFSA-N
PubChem SID: 26754278
Wikipedia Deoxycytidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL66115



ACToR 207121-53-7 56905-41-0
BindingDB 50367094
Brenda 155254 48264 486 51612 173329 451
ChEBI 15698
DrugBank DB02594
eMolecules 901292 537205
FDA SRS 0W860991D6
Human Metabolome Database HMDB0000014
IBM Patent System 8A0E2158ACA15E261DE90821572EB9DB
KEGG Ligand C00881
Mcule MCULE-2040549804
Metabolights MTBLC15698
MolPort MolPort-001-793-068
Nikkaji J14.406A
PDBe DCZ
PubChem 13711
PubChem: Thomson Pharma 14822820 14822821
Recon dcyt
SureChEMBL SCHEMBL23178
ZINC ZINC000018286013

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