Censavudine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Censavudine
Accession Number
DB12074
Type
Small Molecule
Groups
Investigational
Description

Censavudine has been used in trials studying the treatment of HIV-1 Infection.

Structure
Thumb
3D
Similar Structures
Synonyms
Not Available
External IDs
BMS-986001 / OBP-601
Categories
UNII
6IE83O6NGA
CAS number
634907-30-5
Weight
Average: 248.238
Monoisotopic: 248.079706874
Chemical Formula
C12H12N2O4
InChI Key
OSYWBJSVKUFFSU-SKDRFNHKSA-N
InChI
InChI=1S/C12H12N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h1,4-6,9,15H,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1
IUPAC Name
1-[(2R,5R)-5-ethynyl-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES
CC1=CN([C@@H]2O[C@](CO)(C=C2)C#C)C(=O)NC1=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
3008897
PubChem Substance
347828383
ChemSpider
2278330
ChEMBL
CHEMBL124363
Wikipedia
Censavudine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentInfection, Human Immunodeficiency Virus I1

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
PropertyValueSource
Water Solubility0.278 mg/mLALOGPS
logP-0.42ALOGPS
logP-0.08ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)9.95ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area78.87 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity62.79 m3·mol-1ChemAxon
Polarizability24.03 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Sub Class
Not Available
Direct Parent
Nucleoside and nucleotide analogues
Alternative Parents
Pyrimidones / Ynones / Hydropyrimidines / Vinylogous amides / Dihydrofurans / Heteroaromatic compounds / Ureas / Lactams / Acetylides / Oxacyclic compounds
show 6 more
Substituents
Pyrimidone / Hydropyrimidine / Pyrimidine / Ynone / Dihydrofuran / Vinylogous amide / Heteroaromatic compound / Urea / Lactam / Oxacycle
show 13 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:18 / Updated on November 02, 2018 07:19