NAV

Elsulfavirine

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

Identification

Generic Name
Elsulfavirine
DrugBank Accession Number
DB14929
Background

Elsulfavirine is under investigation in clinical trial NCT03706898 (Study to Evaluate the Safety and PK of Elpida® in Healthy Subjects and Patients With Hepatic Impairment and to Assess the Impact of Food Intake and Drug-Drug Interactions With Other Antiviral Drugs).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 629.28
Monoisotopic: 626.943338
Chemical Formula
C24H17BrCl2FN3O5S
Synonyms
  • Elsulfavirine
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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 bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylethers
Direct Parent
Bromodiphenyl ethers
Alternative Parents
Diarylethers / Phenylacetamides / Benzenesulfonamides / Anilides / Benzenesulfonyl compounds / Phenoxy compounds / Phenol ethers / Benzonitriles / N-arylamides / Bromobenzenes
show 15 more
Substituents
Aminosulfonyl compound / Anilide / Aromatic homomonocyclic compound / Aryl bromide / Aryl chloride / Aryl fluoride / Aryl halide / Benzenesulfonamide / Benzenesulfonyl group / Benzonitrile
show 32 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
ZC4CGO0RUG
CAS number
868046-19-9
InChI Key
ULTDEARCBRNRGR-UHFFFAOYSA-N
InChI
InChI=1S/C24H17BrCl2FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)
IUPAC Name
N-(4-{2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetamido}-3-chlorobenzenesulfonyl)propanamide
SMILES
CCC(=O)NS(=O)(=O)C1=CC(Cl)=C(NC(=O)CC2=CC=C(Br)C(OC3=CC(=CC(Cl)=C3)C#N)=C2F)C=C1

References

General References
Not Available
ChemSpider
9702305

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3CompletedTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1
1CompletedBasic ScienceHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1
1CompletedTreatmentCoronavirus Disease 2019 (COVID‑19) / Human Immunodeficiency Virus Type 1 (HIV-1) Infection1
1CompletedTreatmentHepatic Impairment / Human Immunodeficiency Virus Type 1 (HIV-1) Infection1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1

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 Solubility0.000601 mg/mLALOGPS
logP5.3ALOGPS
logP5.82Chemaxon
logS-6ALOGPS
pKa (Strongest Acidic)3.24Chemaxon
pKa (Strongest Basic)-3.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area125.36 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity141.4 m3·mol-1Chemaxon
Polarizability54.83 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0udi-0000091000-62f651431d7f15ede845
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zou-6001395000-2f5538a85d2629b1141e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0010092000-914e3c9a9a8911824ef6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f79-1009242000-6b5f918cc65c5f9ed944
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0v0r-6112091000-00e73da31868a1117eaf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9102020000-c7cecf2992cd36fe6bfe
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:35 / Updated at February 21, 2021 18:55