Selodenoson

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Selodenoson
DrugBank Accession Number
DB16325
Background

Selodenoson is under investigation in clinical trial NCT00040001 (Safety and Efficacy Study of an A1-adenosine Receptor Agonist to Slow Heart Rate in Atrial Fibrillation).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 376.417
Monoisotopic: 376.185903277
Chemical Formula
C17H24N6O4
Synonyms
  • Selodenoson
External IDs
  • DTI-0009
  • GR-56072
  • RG-14202

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
103G5E953K
CAS number
110299-05-3
InChI Key
GWVQGVCXFNYGFP-PFHKOEEOSA-N
InChI
InChI=1S/C17H24N6O4/c1-2-18-16(26)13-11(24)12(25)17(27-13)23-8-21-10-14(19-7-20-15(10)23)22-9-5-3-4-6-9/h7-9,11-13,17,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17+/m0/s1
IUPAC Name
(2S,3S,4R,5R)-5-[6-(cyclopentylamino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
SMILES
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NC1CCCC1

References

General References
Not Available
ChemSpider
2339966
ChEMBL
CHEMBL2107371

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAtrial Fibrillation1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.37 mg/mLALOGPS
logP0.74ALOGPS
logP-0.34Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)12.39Chemaxon
pKa (Strongest Basic)3.73Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area134.42 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity96.44 m3·mol-1Chemaxon
Polarizability39.08 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0019000000-da8b7fd5970b1221da67
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-2198000000-196ec4ccc1434f58b88d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-0059000000-499e5bd209b505a351a7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0194000000-3ce13ba142a14e47a74e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uy0-3984000000-fb9537ae570f3bb8602c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gc3-4953000000-fb7543162c1abd32943e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-196.2564385
predicted
DarkChem Lite v0.1.0
[M+H]+195.9145385
predicted
DarkChem Lite v0.1.0
[M+Na]+195.5714385
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 20:02 / Updated at February 21, 2021 18:55