Islatravir

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

Identification

Name
Islatravir
Accession Number
DB15653
Description

Islatravir is under investigation in clinical trial NCT04233216 (Doravirine/islatravir (DOR/ISL) in Heavily Treatment-experienced (HTE) Participants for Human Immunodeficiency Virus Type 1 (HIV-1) Infection (MK-8591A-019)).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 293.258
Monoisotopic: 293.092417429
Chemical Formula
C12H12FN5O3
Synonyms
  • 4'-ethynyl-2-fluoro-2'-deoxyadenosine
  • Islatravir
External IDs
  • EFDA
  • MK-8591

Pharmacology

Pharmacology
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Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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Toxicity
Not Available
Affected organisms
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

Chemical Identifiers

UNII
QPQ082R25D
CAS number
865363-93-5
InChI Key
IKKXOSBHLYMWAE-QRPMWFLTSA-N
InChI
InChI=1S/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1
IUPAC Name
(2R,3S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
SMILES
NC1=NC(F)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@](CO)(O1)C#C

References

General References
Not Available
KEGG Drug
D11432
ChemSpider
4983885
ChEMBL
CHEMBL517231
Wikipedia
Islatravir

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingPreventionHIV Preexposure Prophylaxis1
3Not Yet RecruitingPreventionHuman Immunodeficiency Virus Type 1 (HIV-1) / Prophylaxis1
3RecruitingTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection2
2Active Not RecruitingPreventionHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1
2Active Not RecruitingTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1
2Not Yet RecruitingTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1
2RecruitingTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
1CompletedTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1)1
1RecruitingOtherHuman 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 Solubility0.744 mg/mLALOGPS
logP-0.34ALOGPS
logP-0.42ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)13.32ChemAxon
pKa (Strongest Basic)0.79ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area119.31 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity70.02 m3·mol-1ChemAxon
Polarizability27.02 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on March 31, 2020 21:59 / Updated on February 21, 2021 18:55