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

Identification

Generic Name
Namodenoson
DrugBank Accession Number
DB12885
Background

Namodenoson has been used in trials studying the treatment of Chronic Hepatitis C and Hepatocellular Carcinoma.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 544.73
Monoisotopic: 544.01228
Chemical Formula
C18H18ClIN6O4
Synonyms
  • 2-Chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide
External IDs
  • CF-102
  • CF102
  • Cl-IB-MECA

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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-alkylaminopurines / Benzylamines / Secondary alkylarylamines / Aminopyrimidines and derivatives / Iodobenzenes / 2-halopyrimidines / Aryl iodides / Aryl chlorides / Imidolactams
show 15 more
Substituents
1,2-diol / 2-halopyrimidine / 6-alkylaminopurine / 6-aminopurine / Alcohol / Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl chloride
show 40 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Z07JR07J6C
CAS number
163042-96-4
InChI Key
IPSYPUKKXMNCNQ-PFHKOEEOSA-N
InChI
InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
IUPAC Name
(2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
SMILES
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC=CC(I)=C3)N=C(Cl)N=C12

References

General References
Not Available
PubChem Compound
3035850
PubChem Substance
347829040
ChemSpider
2299989
BindingDB
21221
ChEMBL
CHEMBL431733
ZINC
ZINC000003995845

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentCirrhosis of the Liver / Hepatocellular Carcinoma1
2CompletedTreatmentHepatocellular Carcinoma1
2CompletedTreatmentNon Alcoholic Steatohepatitis (NASH)1
2RecruitingTreatmentNon Alcoholic Steatohepatitis (NASH)1
1, 2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection1
1, 2CompletedTreatmentHepatocellular Carcinoma1

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 Solubility0.0793 mg/mLALOGPS
logP2.23ALOGPS
logP1.51Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)12.39Chemaxon
pKa (Strongest Basic)1.13Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area134.42 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity118.75 m3·mol-1Chemaxon
Polarizability47.23 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/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
MS/MS Spectrum - , positiveLC-MS/MSsplash10-014r-2498000000-d109ee0ec76d12c73e3f

Drug created at October 21, 2016 01:00 / Updated at December 01, 2022 11:28