Sonedenoson

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

Identification

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Name
Sonedenoson
Accession Number
DB12443
Type
Small Molecule
Groups
Investigational
Description

Sonedenoson has been used in trials studying the treatment of Foot Ulcer, Diabetic and Diabetes Complications.

Structure
Thumb
Synonyms
Not Available
External IDs
MRE0094
Categories
UNII
2OT4KAG5JL
CAS number
131865-88-8
Weight
Average: 421.84
Monoisotopic: 421.1152965
Chemical Formula
C18H20ClN5O5
InChI Key
WUCQGGOGHZRELS-LSCFUAHRSA-N
InChI
InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
IUPAC Name
(2R,3R,4S,5R)-2-{6-amino-2-[2-(4-chlorophenyl)ethoxy]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol
SMILES
NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC(OCCC2=CC=C(Cl)C=C2)=N1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
9910098
PubChem Substance
347828684
ChemSpider
8085749
BindingDB
50364043
ChEMBL
CHEMBL1950553

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetes Complications / Diabetic Foot Ulcers (DFU)1
2TerminatedTreatmentDiabetes Complications / Diabetic Foot Ulcers (DFU)1

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 Solubility0.944 mg/mLALOGPS
logP1.27ALOGPS
logP1.05ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)12.45ChemAxon
pKa (Strongest Basic)3.22ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area148.77 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity103.78 m3·mol-1ChemAxon
Polarizability41.64 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Purine nucleosides
Sub Class
Not Available
Direct Parent
Purine nucleosides
Alternative Parents
Glycosylamines / 6-aminopurines / Pentoses / Alkyl aryl ethers / Aminopyrimidines and derivatives / Chlorobenzenes / Aryl chlorides / N-substituted imidazoles / Imidolactams / Oxolanes
show 8 more
Substituents
Purine nucleoside / N-glycosyl compound / Glycosyl compound / 6-aminopurine / Pentose monosaccharide / Imidazopyrimidine / Purine / Chlorobenzene / Aminopyrimidine / Alkyl aryl ether
show 30 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:25 / Updated on September 02, 2019 19:41