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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL305686
CHEMBL305686
Compound Name CORDYCEPIN
ChEMBL Synonyms Cordycepin | 3'-Deoxyadenosine
Max Phase 0
Trade Names
Molecular Formula C10H13N5O3

Additional synonyms for CHEMBL305686 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)C[C@H]3O
Standard InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1- ...
Download InChI
Standard InChI Key OFEZSBMBBKLLBJ-BAJZRUMYSA-N

Sources

  • GSK Kinetoplastid Screening
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL305686

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
251.2 251.1018 -1.31 2 119.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.64 3.82 -1.36 -1.36 2 18 0.61

Structural Alerts

There are 1 structural alerts for CHEMBL305686. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OFEZSBMBBKLLBJ-BAJZRUMYSA-N
PubChem SID: 47193882
Wikipedia Cordycepin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL305686



ACToR 73-03-0
BindingDB 50144950
Brenda 5954 2127
ChEBI 29014
DrugBank DB12156
eMolecules 496864
EPA CompTox Dashboard DTXSID1041007
FDA SRS GZ8VF4M2J8
Guide to Pharmacology 4630
IBM Patent System 20651DDE94EED2189351FB7C9160645D
KEGG Ligand C08431
LINCS LSM-45779
Mcule MCULE-4586318816
MolPort MolPort-003-929-797
Nikkaji J5.255H
PDBe 3AD
PubChem 6303
PubChem: Thomson Pharma 15221211 14823463
SureChEMBL SCHEMBL98323
ZINC ZINC000001319796

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