Laninamivir octanoate

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

Identification

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Name
Laninamivir octanoate
Accession Number
DB11888
Type
Small Molecule
Groups
Investigational
Description

Laninamivir octanoate has been used in trials studying the treatment of Asthma.

Structure
Thumb
Synonyms
Not Available
External IDs
Cs 8958 / CS-8958 / R-118958
Categories
UNII
E026V904RL
CAS number
203120-46-1
Weight
Average: 472.5325
Monoisotopic: 472.253314148
Chemical Formula
C21H36N4O8
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-2-[(1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-3-[(1-hydroxyethylidene)amino]-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILES
[H][C@@](O)(COC(=O)CCCCCCC)[C@@]([H])(OC)[C@]1([H])OC(=C[C@]([H])(NC(N)=N)[C@@]1([H])N=C(C)O)C(O)=O

Pharmacology

Indication
Not Available
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
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.
DrugInteraction
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Laninamivir octanoate.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Laninamivir octanoate.
Bacillus calmette-guerin substrain connaught live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Laninamivir octanoate.
Bacillus calmette-guerin substrain danish 1331 live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain danish 1331 live antigen can be decreased when used in combination with Laninamivir octanoate.
Bacillus calmette-guerin substrain tice live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Laninamivir octanoate.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Laninamivir octanoate.
Human adenovirus e serotype 4 strain cl-68578 antigenThe therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with Laninamivir octanoate.
Rubella virus vaccineThe therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Laninamivir octanoate.
Typhoid Vaccine LiveThe therapeutic efficacy of Typhoid Vaccine Live Ty21a 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.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9847629
PubChem Substance
347828223
ChemSpider
8023342
ChEBI
134741
ChEMBL
CHEMBL467058
HET
LVO
PDB Entries
3ti4 / 3tib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedPreventionFlu caused by Influenza1
1CompletedTreatmentAsthma Bronchial1
1CompletedTreatmentFlu caused by Influenza2
1, 2TerminatedTreatmentFlu caused by Influenza1
2CompletedTreatmentFlu caused by Influenza1
3CompletedTreatmentInfluenza, Human1

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 Solubility0.171 mg/mLALOGPS
logP0.93ALOGPS
logP-0.96ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)3.45ChemAxon
pKa (Strongest Basic)11.89ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area196.78 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity128.54 m3·mol-1ChemAxon
Polarizability49.43 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Fatty acid ester / Dicarboxylic acid or derivatives / Acetamide / Carboxamide group / Carboxylic acid ester / Guanidine / Secondary alcohol / Secondary carboxylic acid amide / Carboxylic acid derivative / Carboxylic acid
show 16 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:57 / Updated on September 02, 2019 19:33