This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Laninamivir octanoate
- DrugBank Accession Number
- DB11888
- Background
Laninamivir octanoate has been used in trials studying the treatment of Asthma.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Laninamivir octanoate (DB11888)
- Weight
- Average: 472.5325
Monoisotopic: 472.253314148 - Chemical Formula
- C21H36N4O8
- Synonyms
- Not Available
- External IDs
- CS 8958
- CS-8958
- R-118958
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 softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Laninamivir octanoate. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Laninamivir octanoate. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Laninamivir octanoate. Bacillus calmette-guerin substrain russian BCG-I live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Laninamivir octanoate. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Laninamivir octanoate. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Laninamivir octanoate. Human adenovirus e serotype 4 strain cl-68578 antigen The therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with Laninamivir octanoate. Rubella virus vaccine The therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Laninamivir octanoate. Typhoid Vaccine Live The therapeutic efficacy of Typhoid Vaccine Live can be decreased when used in combination with Laninamivir octanoate. Varicella zoster vaccine (live/attenuated) The therapeutic efficacy of Varicella zoster vaccine (live/attenuated) can be decreased when used in combination with Laninamivir octanoate. 
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
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Fatty Acyls
- Sub Class
- Fatty acid esters
- Direct Parent
- Fatty acid esters
- Alternative Parents
- Dicarboxylic acids and derivatives / Acetamides / Secondary carboxylic acid amides / Secondary alcohols / Guanidines / Carboxylic acid esters / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Dialkyl ethers / Carboxylic acids show 4 more
- Substituents
- Acetamide / Alcohol / Aliphatic heteromonocyclic compound / Carbonyl group / Carboxamide group / Carboximidamide / Carboxylic acid / Carboxylic acid derivative / Carboxylic acid ester / Dialkyl ether show 16 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- E026V904RL
- CAS number
- 203120-46-1
- InChI Key
- UKTIJASCFRNWCB-RMIBSVFLSA-N
- InChI
- InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
- IUPAC Name
- (2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
- SMILES
- [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)COC(=O)CCCCCCC
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9847629
- PubChem Substance
- 347828223
- ChemSpider
- 8023342
- ChEBI
- 134741
- ChEMBL
- CHEMBL467058
- ZINC
- ZINC000014175798
- PDBe Ligand
- LVO
- PDB Entries
- 3ti4 / 3tib
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Influenza, Human 1 2 Completed Treatment Flu caused by Influenza 1 1 Completed Prevention Flu caused by Influenza 1 1 Completed Treatment Asthma 1 1 Completed Treatment Flu caused by Influenza 2 1, 2 Terminated Treatment Flu caused by Influenza 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 0.184 mg/mL ALOGPS logP 0.86 ALOGPS logP -1.8 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 2.96 Chemaxon pKa (Strongest Basic) 11.54 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 193.29 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 128.02 m3·mol-1 Chemaxon Polarizability 49.12 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No 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
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 20:57 / Updated at June 12, 2020 16:53