Laninamivir

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

Identification

Name
Laninamivir
Accession Number
DB12791
Type
Small Molecule
Groups
Investigational
Description

Laninamivir has been used in trials studying the treatment of Influenza.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
B408IW3GL5
CAS number
203120-17-6
Weight
Average: 346.3364
Monoisotopic: 346.148849078
Chemical Formula
C13H22N4O7
InChI Key
QNRRHYPPQFELSF-CNYIRLTGSA-N
InChI
InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
IUPAC Name
(2R,3R,4S)-4-carbamimidamido-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3-[(1-hydroxyethylidene)amino]-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILES
[H][C@@](O)(CO)[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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
502272
PubChem Substance
347828969
ChemSpider
439182
BindingDB
50009296
ChEMBL
CHEMBL466246
HET
LNV
Wikipedia
Laninamivir
PDB Entries
3ti3 / 3ti8 / 3tia / 4hzw / 4mwu / 4mwy / 4qn6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentFlu caused by Influenza1

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 Solubility0.745 mg/mLALOGPS
logP-1.4ALOGPS
logP-4.3ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)3.61ChemAxon
pKa (Strongest Basic)12ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area190.71 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity91.76 m3·mol-1ChemAxon
Polarizability33.35 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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acid derivatives
Direct Parent
Acetamides
Alternative Parents
Secondary carboxylic acid amides / Secondary alcohols / Guanidines / 1,2-diols / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Monocarboxylic acids and derivatives / Dialkyl ethers / Carboxylic acids / Carboximidamides
show 5 more
Substituents
Acetamide / 1,2-diol / Guanidine / Secondary alcohol / Secondary carboxylic acid amide / Carboxylic acid / Dialkyl ether / Ether / Monocarboxylic acid or derivatives / Carboximidamide
show 15 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:17 / Updated on November 02, 2018 07:29