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Sonedenoson

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

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Identification

Generic Name
Sonedenoson
DrugBank Accession Number
DB12443
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 421.84
Monoisotopic: 421.1152965
Chemical Formula
C18H20ClN5O5
Synonyms
  • Sonedenoson
External IDs
  • MRE0094
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
AAdenosine receptor A2a
agonist
Humans
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
Chemical TaxonomyProvided by Classyfire
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
6-aminopurine / Alcohol / Alkyl aryl ether / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azole
show 30 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2OT4KAG5JL
CAS number
131865-88-8
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

References

General References
Not Available
PubChem Compound
9910098
PubChem Substance
347828684
ChemSpider
8085749
BindingDB
50364043
ChEMBL
CHEMBL1950553
ZINC
ZINC000003966398

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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2CompletedTreatmentDiabetes Complications / Diabetic Foot Ulcers (DFUs)1somestatusstop reasonjust information to hide
2TerminatedTreatmentDiabetes Complications / Diabetic Foot Ulcers (DFUs)1somestatusstop reasonjust information to hide

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/MSsplash10-00di-0010900000-be751f75604ae7e02ab6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f79-0960000000-88901ef2154783d2fadb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-b471169cac51f704183c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-6196100000-910959d4d429489481aa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0w2c-1790100000-556952e71387f2be2dc2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-2920000000-cd99c107cbf204cf11d7
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]-186.87389
predicted
DeepCCS 1.0 (2019)
[M+H]+189.26945
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.18199
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Adenosine receptor A2a
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Agonist
General Function
Receptor for adenosine (By similarity). The activity of this receptor is mediated by G proteins which activate adenylyl cyclase (By similarity)
Specific Function
alpha-actinin binding
Gene Name
ADORA2A
Uniprot ID
P29274
Uniprot Name
Adenosine receptor A2a
Molecular Weight
44706.925 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at October 20, 2016 22:25 / Updated at August 27, 2024 19:15