Selodenoson
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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
- Selodenoson
- DrugBank Accession Number
- DB16325
- Background
Selodenoson is under investigation in clinical trial NCT00040001 (Safety and Efficacy Study of an A1-adenosine Receptor Agonist to Slow Heart Rate in Atrial Fibrillation).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 376.417
Monoisotopic: 376.185903277 - Chemical Formula
- C17H24N6O4
- Synonyms
- Selodenoson
- External IDs
- DTI-0009
- GR-56072
- RG-14202
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 103G5E953K
- CAS number
- 110299-05-3
- InChI Key
- GWVQGVCXFNYGFP-PFHKOEEOSA-N
- InChI
- InChI=1S/C17H24N6O4/c1-2-18-16(26)13-11(24)12(25)17(27-13)23-8-21-10-14(19-7-20-15(10)23)22-9-5-3-4-6-9/h7-9,11-13,17,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17+/m0/s1
- IUPAC Name
- (2S,3S,4R,5R)-5-[6-(cyclopentylamino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
- SMILES
- CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NC1CCCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 2339966
- ChEMBL
- CHEMBL2107371
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Atrial Fibrillation 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 1.37 mg/mL ALOGPS logP 0.74 ALOGPS logP -0.34 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 12.39 Chemaxon pKa (Strongest Basic) 3.73 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 96.44 m3·mol-1 Chemaxon Polarizability 39.08 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 No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0019000000-da8b7fd5970b1221da67 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-2198000000-196ec4ccc1434f58b88d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0f89-0059000000-499e5bd209b505a351a7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0194000000-3ce13ba142a14e47a74e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0uy0-3984000000-fb9537ae570f3bb8602c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0gc3-4953000000-fb7543162c1abd32943e 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]- 196.2564385 predictedDarkChem Lite v0.1.0 [M+H]+ 195.9145385 predictedDarkChem Lite v0.1.0 [M+Na]+ 195.5714385 predictedDarkChem Lite v0.1.0
Drug created at December 15, 2020 20:02 / Updated at February 21, 2021 18:55