Netivudine
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Netivudine
- DrugBank Accession Number
- DB12606
- Background
Netivudine has been used in trials studying the treatment of Chickenpox and HIV Infections.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 282.252
Monoisotopic: 282.085186179 - Chemical Formula
- C12H14N2O6
- Synonyms
- Netivudine
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 pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Pyrimidine nucleosides
- Sub Class
- Not Available
- Direct Parent
- Pyrimidine nucleosides
- Alternative Parents
- Glycosylamines / Pentoses / Pyrimidones / Hydropyrimidines / Tetrahydrofurans / Heteroaromatic compounds / Vinylogous amides / Ureas / Lactams / Secondary alcohols show 7 more
- Substituents
- Alcohol / Aromatic heteromonocyclic compound / Azacycle / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam / Monosaccharide / N-glycosyl compound show 17 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- F7K51T0Q1W
- CAS number
- 84558-93-0
- InChI Key
- QLOCVMVCRJOTTM-SDNRWEOFSA-N
- InChI
- InChI=1S/C12H14N2O6/c1-2-3-6-4-14(12(19)13-10(6)18)11-9(17)8(16)7(5-15)20-11/h4,7-9,11,15-17H,5H2,1H3,(H,13,18,19)/t7-,8-,9+,11-/m1/s1
- IUPAC Name
- 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(prop-1-yn-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
- SMILES
- CC#CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)NC1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 55281
- PubChem Substance
- 347828822
- ChemSpider
- 49925
- ChEMBL
- CHEMBL1097615
- ZINC
- ZINC000003794610
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Human Immunodeficiency Virus (HIV) Infections / Varicella Zoster Virus 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 2.0 mg/mL ALOGPS logP -0.67 ALOGPS logP -1.5 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 9.44 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 119.33 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 65.49 m3·mol-1 Chemaxon Polarizability 26.79 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0h04-9640000000-9519fff2eb56360c7011 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0900000000-d08934ead3f211dee826 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001m-0930000000-1b433832b8517fd75aec Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-053r-1900000000-8f24b1327f57d8467be5 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-007p-2900000000-cd9de1a56a841ff5c9d8 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0zgi-6900000000-2363ff15c6c512390211 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-3910000000-eb861b4c87d9f4fe8592 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]- 179.6791832 predictedDarkChem Lite v0.1.0 [M-H]- 165.86586 predictedDeepCCS 1.0 (2019) [M+H]+ 180.1077832 predictedDarkChem Lite v0.1.0 [M+H]+ 168.22386 predictedDeepCCS 1.0 (2019) [M+Na]+ 180.0396832 predictedDarkChem Lite v0.1.0 [M+Na]+ 174.97408 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:10 / Updated at February 21, 2021 18:53