NAV

Inarigivir soproxil

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Inarigivir soproxil
DrugBank Accession Number
DB15063
Background

Inarigivir soproxil is under investigation in clinical trial NCT03434353 (Study to Evaluate the Antiviral Activity of Inarigivir (GS-9992) Plus Tenofovir Alafenamide (TAF) for 12 Weeks in Adults With Chronic Hepatitis B (CHB)).

Type
Small Molecule
Groups
Investigational
Structure
 3D
Similar Structures
Weight
Average: 703.62
Monoisotopic: 703.167292355
Chemical Formula
C25H34N7O13PS
Synonyms
  • Inarigivir soproxil
External IDs
  • SB 9200

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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
365052M0DK
CAS number
942123-43-5
InChI Key
CJCYTUJOSMYXLE-JDLSZIHUSA-N
InChI
InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1
IUPAC Name
1-[(2R,3R,4R,5R)-4-[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}[({[(propan-2-yloxy)carbonyl]oxy}methyl)sulfanyl]phosphoryl)oxy]-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES
CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C2N=CN=C3N)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1N1C=CC(=O)NC1=O

References

一般引用
Not Available
ChemSpider
24667419
ChEMBL
CHEMBL1076930

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
2 Completed Treatment Viral Hepatitis B/Virus Hepatitis 1
2 Terminated Treatment HBV/Hepatitis B Chronic Infection/Viral Hepatitis B 3
2 Terminated Treatment Hepatitis B Chronic Infection 1
1 Completed Treatment Drug Interaction Potentiation 1
1 Completed Treatment Hepatitis C Infections 1

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
Property Value Source
Water Solubility 1.68 mg/mL ALOGPS
logP -0.3 ALOGPS
logP -0.27 Chemaxon
logS -2.6 ALOGPS
pKa (Strongest Acidic) 9.7 Chemaxon
pKa (Strongest Basic) 3.96 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 14 Chemaxon
Hydrogen Donor Count 4 Chemaxon
Polar Surface Area 258.24 Å2 Chemaxon
Rotatable Bond Count 15 Chemaxon
Refractivity 158.25 m3·mol-1 Chemaxon
Polarizability 65.94 Å3 Chemaxon
Number of Rings 5 Chemaxon
Bioavailability 0 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule Yes Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

药物在2019年5月20日14:46 Fe /更新bruary 21, 2021 18:55