Pradefovir

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

Identification

Generic Name
Pradefovir
DrugBank Accession Number
DB15550
Background

Pradefovir is a prodrug of adefovir.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 423.79
Monoisotopic: 423.0863188
Chemical Formula
C17H19ClN5O4P
Synonyms
  • Pradefovir

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
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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
GZE85Q9Q61
CAS number
625095-60-5
InChI Key
GWNHAOBXDGOXRR-HJFSHJIFSA-N
InChI
InChI=1S/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28+/m0/s1
IUPAC Name
(2R,4S)-2-{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}-4-(3-chlorophenyl)-1,3,2lambda5-dioxaphosphinan-2-one
SMILES
NC1=NC=NC2=C1N=CN2CCOC[P@@]1(=O)OCC[C@H](O1)C1=CC=CC(Cl)=C1

References

General References
Not Available
ChemSpider
7878773
ChEMBL
CHEMBL2096895
ZINC
ZINC000003939598

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Hepatitis B Infection1
2TerminatedTreatmentChronic 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 Solubility0.45 mg/mLALOGPS
logP1.7ALOGPS
logP1.81Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)18.55Chemaxon
pKa (Strongest Basic)3.75Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area114.38 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity104.06 m3·mol-1Chemaxon
Polarizability39.12 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-00di-0000900000-c6d85e65b29cc5bdb603
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-2010900000-b1279a541b04578ecc7c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dj-0051900000-716305052e26ec92a90b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-008a-3009600000-7056556576faef88ee04
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-016r-0901000000-37749bbcac07b8482d49
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9246300000-481439302020db120905
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 13, 2019 16:25 / Updated at February 21, 2021 18:55