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

Identification

Generic Name
Rovafovir etalafenamide
DrugBank Accession Number
DB14903
Background

Rovafovir etalafenamide is under investigation in clinical trial NCT03472326 (Efficacy of GS-9131 Functional Monotherapy in HIV-1-Infected Adults Failing a Nucleos(t)Ide Reverse Transcriptase Inhibitor-Containing Regimen).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 506.431
Monoisotopic: 506.147897678
Chemical Formula
C21H24FN6O6P
Synonyms
  • Rovafovir etalafenamide
External IDs
  • GS-9131

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 alpha amino acid esters. These are ester derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid esters
Alternative Parents
Alanine and derivatives / 6-aminopurines / Phenoxy compounds / Aminopyrimidines and derivatives / Primary aromatic amines / Phosphonic amide esters / Phosphonic acid esters / N-substituted imidazoles / Imidolactams / Dihydrofurans
show 14 more
Substituents
6-aminopurine / Acetal / Alanine or derivatives / Alpha-amino acid ester / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid
show 34 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U8S0IC8DY7
CAS number
912809-27-9
InChI Key
OCJRRXHWPBXZSU-BJBBEUPESA-N
InChI
InChI=1S/C21H24FN6O6P/c1-3-31-21(29)13(2)27-35(30,34-14-7-5-4-6-8-14)12-32-16-9-15(22)20(33-16)28-11-26-17-18(23)24-10-25-19(17)28/h4-11,13,16,20H,3,12H2,1-2H3,(H,27,30)(H2,23,24,25)/t13-,16-,20+,35+/m0/s1
IUPAC Name
ethyl (2S)-2-{[(R)-({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)(phenoxy)phosphoryl]amino}propanoate
SMILES
CCOC(=O)[C@H](C)N[P@@](=O)(CO[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)C(F)=C1)OC1=CC=CC=C1

References

General References
Not Available
ChemSpider
34553889
ZINC
ZINC000034820804

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
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 Solubility0.459 mg/mLALOGPS
logP1.44ALOGPS
logP1.49ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)11.36ChemAxon
pKa (Strongest Basic)3.91ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area152.71 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity122.9 m3·mol-1ChemAxon
Polarizability47.88 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 14:33 / Updated at February 21, 2021 18:55