This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Letaxaban
- DrugBank Accession Number
- DB11984
- Background
Letaxaban has been used in trials studying the treatment and prevention of Venous Thromboembolism and Acute Coronary Syndrome.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Letaxaban (DB11984)
- Weight
- Average: 479.977
Monoisotopic: 479.128169354 - Chemical Formula
- C22H26ClN3O5S
- Synonyms
- Letaxaban
- Letaxabán
- Letaxabanum
- External IDs
- TAK 442
- TAK-442
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab The risk or severity of bleeding can be increased when Abciximab is combined with Letaxaban. Aceclofenac The risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Letaxaban. Acemetacin The risk or severity of bleeding and hemorrhage can be increased when Letaxaban is combined with Acemetacin. Acenocoumarol The risk or severity of bleeding can be increased when Acenocoumarol is combined with Letaxaban. Acetylsalicylic acid Acetylsalicylic acid may increase the anticoagulant activities of Letaxaban. Albutrepenonacog alfa The therapeutic efficacy of Albutrepenonacog alfa can be decreased when used in combination with Letaxaban. Alclofenac The risk or severity of bleeding and hemorrhage can be increased when Alclofenac is combined with Letaxaban. Aldesleukin The risk or severity of bleeding can be increased when Letaxaban is combined with Aldesleukin. Alemtuzumab The risk or severity of bleeding can be increased when Letaxaban is combined with Alemtuzumab. Alteplase The risk or severity of bleeding can be increased when Alteplase is combined with Letaxaban. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Avoid herbs and supplements with anticoagulant/antiplatelet activity. Examples include garlic, ginger, bilberry, danshen, piracetam, and ginkgo biloba.
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as chloronaphthalenes. These are aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine atom.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Naphthalenes
- Sub Class
- Chloronaphthalenes
- Direct Parent
- Chloronaphthalenes
- Alternative Parents
- N-acylpiperidines / Pyrimidones / Diazinanes / Aryl chlorides / Tertiary carboxylic acid amides / Sulfones / Ureas / Secondary alcohols / Azacyclic compounds / Organonitrogen compounds show 4 more
- Substituents
- 1,3-diazinane / Alcohol / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Chloronaphthalene show 19 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Y3WB03966W
- CAS number
- 870262-90-1
- InChI Key
- GEHAEMCVKDPMKO-HXUWFJFHSA-N
- InChI
- InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
- IUPAC Name
- 1-{1-[(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl]piperidin-4-yl}-1,3-diazinan-2-one
- SMILES
- O[C@H](CS(=O)(=O)C1=CC=C2C=C(Cl)C=CC2=C1)C(=O)N1CCC(CC1)N1CCCNC1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11641515
- PubChem Substance
- 347828305
- ChemSpider
- 9816256
- BindingDB
- 50317098
- ChEMBL
- CHEMBL1095032
- ZINC
- ZINC000013986542
- PDBe Ligand
- 443
- PDB Entries
- 3kl6
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Prevention Venous Thromboembolism 1 2 Completed Treatment Acute Coronary Syndrome (ACS) 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
Property Value Source Water Solubility 0.217 mg/mL ALOGPS logP 1.55 ALOGPS logP 0.23 ChemAxon logS -3.3 ALOGPS pKa (Strongest Acidic) 12.26 ChemAxon pKa (Strongest Basic) -0.87 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 107.02 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 120.75 m3·mol-1 ChemAxon Polarizability 47.63 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 21:08 / Updated at February 21, 2021 18:53