Besifovir

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

Identification

Generic Name
Besifovir
DrugBank Accession Number
DB15671
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 299.227
Monoisotopic: 299.078340949
Chemical Formula
C10H14N5O4P
Synonyms
  • Besifovir

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
4PLG22CQUU
CAS number
441785-25-7
InChI Key
KDNSSKPZBDNJDF-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)
IUPAC Name
({1-[(2-amino-9H-purin-9-yl)methyl]cyclopropoxy}methyl)phosphonic acid
SMILES
NC1=NC=C2N=CN(CC3(CC3)OCP(O)(O)=O)C2=N1

References

General References
Not Available
ChemSpider
4435660
ChEMBL
CHEMBL329091
ZINC
ZINC000001553339
Wikipedia
Besifovir

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentChronic Hepatitis B Infection1
3CompletedTreatmentChronic Hepatitis B 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 Solubility2.07 mg/mLALOGPS
logP-1.4ALOGPS
logP-3.1Chemaxon
logS-2.2ALOGPS
pKa (Strongest Acidic)1.35Chemaxon
pKa (Strongest Basic)3.58Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area136.38 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity69.85 m3·mol-1Chemaxon
Polarizability26.94 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-3ecb8155d82ca60ac331
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-3090000000-fa655e35940cb4859851
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0901000000-55a35710aa481d4a195d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ot-7090000000-fc3fa6f716f240f9d44f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-2900000000-21d593b01cf95ba5c082
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9800000000-8e3ab33befa6f83fd4f3
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at April 20, 2020 15:43 / Updated at February 21, 2021 18:55