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

Identification

Generic Name
Islatravir
DrugBank Accession Number
DB15653
Background

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

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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
Classification
Not classified
Affected organisms
Not Available

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
3RecruitingPreventionHIV Preexposure Prophylaxis1
3RecruitingPreventionHuman 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) Infection2
2Not Yet RecruitingPreventionHuman Immunodeficiency Virus (HIV) Infections2
2RecruitingTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1
1CompletedOtherHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections2
1CompletedTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1)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
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 at March 31, 2020 21:59 / Updated at February 21, 2021 18:55