NAV

Fosdevirine

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

Identification

Generic Name
Fosdevirine
DrugBank Accession Number
DB06166
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 413.8
Monoisotopic: 413.0696061
Chemical Formula
C20H17ClN3O3P
Synonyms
  • Fosdevirine
External IDs
  • GSK 2248761A
  • GSK-2248761
  • GSK-2248761A
  • GSK2248761A
  • IDX-899
  • IDX899
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Pharmacology

Indication

Investigated for use/treatment in HIV infection and acquired immune deficiency syndrome (AIDS) and aids-related infections.

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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 indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indolecarboxylic acids and derivatives
Direct Parent
Indolecarboxamides and derivatives
Alternative Parents
Indoles / Styrenes / Pyrrole carboxamides / 2-heteroaryl carboxamides / Toluenes / Substituted pyrroles / Aryl chlorides / Heteroaromatic compounds / Primary carboxylic acid amides / Azacyclic compounds
show 6 more
Substituents
2-heteroaryl carboxamide / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Carbonitrile / Carboxamide group / Carboxylic acid derivative / Cyanide
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Z4I0C281BJ
CAS number
1018450-26-4
InChI Key
CGBYTKOSZYQOPV-CCEZBSFNSA-N
InChI
InChI=1S/C20H17ClN3O3P/c1-12-8-13(4-3-7-22)10-15(9-12)28(26,27-2)19-16-11-14(21)5-6-17(16)24-18(19)20(23)25/h3-6,8-11,24H,1-2H3,(H2,23,25)/b4-3+/t28-/m0/s1
IUPAC Name
(S)-(methyl (2-carbamoyl-5-chloro-1H-indol-3-yl)({3-[(1E)-2-cyanoeth-1-en-1-yl]-5-methylphenyl})phosphinate)
SMILES
CO[P@](=O)(C1=C(NC2=CC=C(Cl)C=C12)C(N)=O)C1=CC(C)=CC(\C=C\C#N)=C1

References

General References
Not Available
ChemSpider
32701774
ChEMBL
CHEMBL3781845
Wikipedia
Fosdevirine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
2TerminatedTreatmentHuman Immunodeficiency Virus (HIV) Infections2
1CompletedNot AvailableHuman Immunodeficiency Virus (HIV) Infections1
1CompletedBasic ScienceHealthy Volunteers (HV) / Human Immunodeficiency Virus (HIV) Infections1
1CompletedOtherHuman Immunodeficiency Virus (HIV) Infections1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00943 mg/mLALOGPS
logP3.47ALOGPS
logP3.54Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)10.8Chemaxon
pKa (Strongest Basic)-1.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area108.97 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity110.51 m3·mol-1Chemaxon
Polarizability40.9 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-03di-0001900000-2bd0036ce79e4775ad21
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0002900000-0d04ee5efbfe760b8c25
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0213900000-12cb6ca30a73297b09c8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0215900000-93d40a46a3cc66695710
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00or-0911000000-ac2039affa1aba09108a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f79-1915000000-b697979fa48e9d14f5ca
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 19, 2008 16:15 / Updated at February 21, 2021 18:52