Alovudine
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Alovudine
- DrugBank Accession Number
- DB06198
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 244.222
Monoisotopic: 244.08593507 - Chemical Formula
- C10H13FN2O4
- Synonyms
- Alovudine
- External IDs
- CL 184,824
- CL 184824
- CL-184,824
- CL-184824
- MIV-310
- NSC-140025
Pharmacology
- Indication
Investigated for use/treatment in HIV infection.
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UReverse transcriptase/RNaseH inhibitorHuman immunodeficiency virus 1 - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Alovudine. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Alovudine. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Alovudine. Bacillus calmette-guerin substrain russian BCG-I live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Alovudine. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Alovudine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at positions 2 and 3.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Pyrimidine nucleosides
- Sub Class
- Pyrimidine 2',3'-dideoxyribonucleosides
- Direct Parent
- Pyrimidine 2',3'-dideoxyribonucleosides
- Alternative Parents
- Pyrimidones / Hydropyrimidines / Tetrahydrofurans / Vinylogous amides / Heteroaromatic compounds / Lactams / Ureas / Oxacyclic compounds / Azacyclic compounds / Primary alcohols show 6 more
- Substituents
- Alcohol / Alkyl fluoride / Alkyl halide / Aromatic heteromonocyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam / Organic nitrogen compound show 16 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- PG53R0DWDQ
- CAS number
- 25526-93-6
- InChI Key
- UXCAQJAQSWSNPQ-XLPZGREQSA-N
- InChI
- InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
- IUPAC Name
- 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- SMILES
- CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 30578
- BindingDB
- 50132287
- ChEMBL
- CHEMBL105318
- ZINC
- ZINC000001725270
- Wikipedia
- Alovudine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Human Immunodeficiency Virus (HIV) Infections 1 Not Available Completed Treatment Human Immunodeficiency Virus (HIV) Infections 3
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 79.2 mg/mL ALOGPS logP -0.6 ALOGPS logP -0.23 Chemaxon logS -0.49 ALOGPS pKa (Strongest Acidic) 10.11 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 78.87 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 53.72 m3·mol-1 Chemaxon Polarizability 22.49 Å3 Chemaxon Number of Rings 2 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 splash10-0059-3910000000-f42dd5a6a51d3791a937 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0590000000-b3ca3da1abf29d00fd10 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-053r-9300000000-4a555a607055708e3fdd Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9710000000-280b8376ca6731b3912d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a6r-4900000000-d3338fb0b61eea121a1c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00r6-6900000000-f0d3e107906b1e7efdd5 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]- 154.57625 predictedDeepCCS 1.0 (2019) [M+H]+ 156.97217 predictedDeepCCS 1.0 (2019) [M+Na]+ 163.00987 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsReverse transcriptase/RNaseH
- Kind
- Protein
- Organism
- Human immunodeficiency virus 1
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Rna-dna hybrid ribonuclease activity
- Specific Function
- Not Available
- Gene Name
- pol
- Uniprot ID
- Q72547
- Uniprot Name
- Reverse transcriptase/RNaseH
- Molecular Weight
- 65223.615 Da
References
- De Clercq E: Emerging anti-HIV drugs. Expert Opin Emerg Drugs. 2005 May;10(2):241-73. [Article]
Drug created at March 19, 2008 16:16 / Updated at June 28, 2022 02:24