Namodenoson
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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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- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 3035850
- PubChem Substance
- 347829040
- ChemSpider
- 2299989
- BindingDB
- 21221
- ChEMBL
- CHEMBL431733
- ZINC
- ZINC000003995845
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Recruiting Treatment Cirrhosis of the Liver / Hepatocellular Carcinoma 1 2 Completed Treatment Hepatocellular Carcinoma 1 2 Completed Treatment Non Alcoholic Steatohepatitis (NASH) 1 2 Recruiting Treatment Non Alcoholic Steatohepatitis (NASH) 1 1, 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 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
Property Value Source Water Solubility 0.0793 mg/mL ALOGPS logP 2.23 ALOGPS logP 1.51 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 12.39 Chemaxon pKa (Strongest Basic) 1.13 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 134.42 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 118.75 m3·mol-1 Chemaxon Polarizability 47.23 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 195.29655 predictedDeepCCS 1.0 (2019) [M+H]+ 197.69211 predictedDeepCCS 1.0 (2019) [M+Na]+ 203.58664 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:00 / Updated at December 01, 2022 11:28