NAV

Evodenoson

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

Identification

Generic Name
Evodenoson
DrugBank Accession Number
DB12295
Background

Evodenoson has been used in trials studying the treatment of Open-angle Glaucoma and Ocular Hypertension.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 499.528
Monoisotopic: 499.217931682
Chemical Formula
C23H29N7O6
Synonyms
  • Evodenoson
External IDs
  • ATL-313
  • ATL313
  • DE-112
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Not Available
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 / Piperidinecarboxylic acids / Aminopyrimidines and derivatives / Imidolactams / N-substituted imidazoles / Heteroaromatic compounds / Oxolanes / Methylcarbamates / Secondary carboxylic acid amides
show 8 more
Substituents
1,2-diol / 6-aminopurine / Alcohol / Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carbamic acid ester
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
HZ03U10J2Z
CAS number
844873-47-8
InChI Key
SQJXTUJMBYVDBB-RQXXJAGISA-N
InChI
InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1
IUPAC Name
methyl 4-(3-{6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-9H-purin-2-yl}prop-2-yn-1-yl)piperidine-1-carboxylate
SMILES
COC(=O)N1CCC(CC#CC2=NC(N)=C3N=CN([C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NC4CC4)C3=N2)CC1

References

General References
Not Available
PubChem Compound
11627443
PubChem Substance
347828562
ChemSpider
9802190
BindingDB
50148598
ChEMBL
CHEMBL1950651

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentOcular Hypertension / Open Angle Glaucoma (OAG)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 Solubility0.318 mg/mLALOGPS
logP0.65ALOGPS
logP-0.0068Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)12.39Chemaxon
pKa (Strongest Basic)2.97Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area177.95 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity123.5 m3·mol-1Chemaxon
Polarizability52.12 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0udl-0121790000-2585be38c91ecd54d623
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-0001900000-9dfcdc9ae8c67b003172
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-1000-0093660000-287bdb46a772f5dafcea
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06r7-0029300000-955ba3cde58158a17b85
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-1498830000-3d1afdf1bec210c6e018
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f8a-0594300000-6e44d944b67426cf6f5c
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]-245.2816252
predicted
DarkChem Lite v0.1.0
[M-H]-211.11302
predicted
DeepCCS 1.0 (2019)
[M+H]+242.4888252
predicted
DarkChem Lite v0.1.0
[M+H]+212.93791
predicted
DeepCCS 1.0 (2019)
[M+Na]+243.7581252
predicted
DarkChem Lite v0.1.0
[M+Na]+218.6953
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:51 / Updated at February 21, 2021 18:53