NAV

Censavudine

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

Identification

Generic Name
Censavudine
DrugBank Accession Number
DB12074
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 248.238
Monoisotopic: 248.079706874
Chemical Formula
C12H12N2O4
Synonyms
  • Censavudine
External IDs
  • BMS-986001
  • OBP-601
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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 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
Acetylide / Alcohol / Aromatic heteromonocyclic compound / Azacycle / Dihydrofuran / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam / Organic nitrogen compound
show 13 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
6IE83O6NGA
CAS number
634907-30-5
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

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentAicardi-Goutières Syndrome (AGS)1
2TerminatedTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1

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-MSsplash10-004i-5940000000-0860c6b48490e8a18b38
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-3490000000-7361a56fc255c1fc709c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ta-0970000000-fa50f0d7f32027cd4179
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0400-1900000000-b9905cdb6fac63dcc25d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-053u-9300000000-6b2ae7e21d52951e138e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9710000000-e10abbe93fc6d27b0e00
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-5900000000-a77e0d1e017dff692207
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-164.3790866
predicted
DarkChem Lite v0.1.0
[M-H]-158.4218
predicted
DeepCCS 1.0 (2019)
[M+H]+167.4015866
predicted
DarkChem Lite v0.1.0
[M+H]+160.81734
predicted
DeepCCS 1.0 (2019)
[M+Na]+165.3871866
predicted
DarkChem Lite v0.1.0
[M+Na]+166.72987
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:18 / Updated at February 21, 2021 18:53