Trabodenoson
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Trabodenoson
- DrugBank Accession Number
- DB13122
- Background
Trabodenoson has been used in trials studying the treatment of Ocular Hypertension (OHT) and Primary Open-Angle Glaucoma (POAG).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 380.361
Monoisotopic: 380.144432388 - Chemical Formula
- C15H20N6O6
- Synonyms
- Trabodenoson
- External IDs
- INNO-8875
- INO-8875
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- 6-alkylaminopurines / Glycosylamines / Pentoses / Secondary alkylarylamines / Aminopyrimidines and derivatives / Imidolactams / N-substituted imidazoles / Tetrahydrofurans / Alkyl nitrates / Heteroaromatic compounds show 10 more
- Substituents
- 1,2-diol / 6-alkylaminopurine / 6-aminopurine / Alcohol / Alkyl nitrate / Allyl-type 1,3-dipolar organic compound / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle show 31 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1T237110W4
- CAS number
- 871108-05-3
- InChI Key
- AQLVRTWKJDTWQQ-SDBHATRESA-N
- InChI
- InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
- IUPAC Name
- [(2R,3S,4R,5R)-5-[6-(cyclopentylamino)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl nitrate
- SMILES
- O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)N1C=NC2=C(NC3CCCC3)N=CN=C12
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11610599
- PubChem Substance
- 347829245
- ChemSpider
- 9785354
- BindingDB
- 97464
- ChEMBL
- CHEMBL3545407
- ZINC
- ZINC000035931662
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Ocular Hypertension / Ocular Hypertension, Primary Open-angle Glaucoma (POAG) 1 2 Completed Treatment Ocular Hypertension / Ocular Hypertension, Primary Open-angle Glaucoma (POAG) 2 1 Completed Treatment Health 1 1, 2 Completed Treatment Glaucoma / Ocular Hypertension 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 1.46 mg/mL ALOGPS logP 0.78 ALOGPS logP 0.26 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 12.45 Chemaxon pKa (Strongest Basic) 3.71 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 157.69 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 90.79 m3·mol-1 Chemaxon Polarizability 36.75 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 212.3083947 predictedDarkChem Lite v0.1.0 [M-H]- 174.38179 predictedDeepCCS 1.0 (2019) [M+H]+ 212.8629947 predictedDarkChem Lite v0.1.0 [M+H]+ 176.75429 predictedDeepCCS 1.0 (2019) [M+Na]+ 213.0222947 predictedDarkChem Lite v0.1.0 [M+Na]+ 182.66682 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 03:26 / Updated at February 21, 2021 18:54