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
Structure for Islatravir (DB15653)
- 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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- Alcohols
- Anti-Infective Agents
- Anti-Retroviral Agents
- Antiviral Agents
- Azo Compounds
- Deoxyribonucleosides
- Enzyme Inhibitors
- Fatty Alcohols
- Heterocyclic Compounds, Fused-Ring
- Lipids
- Nucleic Acid Synthesis Inhibitors
- Nucleic Acids, Nucleotides, and Nucleosides
- Nucleosides
- Purine Nucleosides
- Purines
- Reverse Transcriptase Inhibitors
- Sesquiterpenes
- Terpenes
- 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
- External Links
- KEGG Drug
- D11432
- ChemSpider
- 4983885
- ChEMBL
- CHEMBL517231
- Wikipedia
- Islatravir
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Prevention HIV Preexposure Prophylaxis 1 3 Active Not Recruiting Prevention Human Immunodeficiency Virus Type 1 (HIV-1) / Prophylaxis 1 3 Active Not Recruiting Treatment Human Immunodeficiency Virus Type 1 (HIV-1) Infection 2 2 Active Not Recruiting Treatment Human Immunodeficiency Virus Type 1 (HIV-1) Infection 1 2 Completed Prevention Human Immunodeficiency Virus Type 1 (HIV-1) Infection 1 2 Completed Treatment Human Immunodeficiency Virus Type 1 (HIV-1) Infection 2 2 Not Yet Recruiting Prevention Human Immunodeficiency Virus (HIV) Infections 1 2 Withdrawn Prevention Human Immunodeficiency Virus (HIV) Infections 1 1 Completed Other Human Immunodeficiency Virus Type 1 (HIV-1) Infection 1 1 Completed Treatment Human Immunodeficiency Virus (HIV) Infections 2
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 0.744 mg/mL ALOGPS logP -0.34 ALOGPS logP -0.42 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 13.32 Chemaxon pKa (Strongest Basic) 0.79 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 119.31 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 70.02 m3·mol-1 Chemaxon Polarizability 27.02 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - 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