Lesogaberan

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
Lesogaberan
Accession Number
DB11920
Type
Small Molecule
Groups
Investigational
Description

Lesogaberan has been used in trials studying the treatment and basic science of GERD, Reflux, Heartburn, Regurgitation, and Reflux Disease, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD-3355 / AZD3355
Categories
UNII
4D6Q6HGC7Z
CAS number
344413-67-8
Weight
Average: 141.082
Monoisotopic: 141.035493695
Chemical Formula
C3H9FNO2P
InChI Key
LJNUIEQATDYXJH-GSVOUGTGSA-N
InChI
InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
IUPAC Name
[(2R)-3-amino-2-fluoropropyl]phosphinic acid
SMILES
NC[C@@H](F)CP(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
9833984
PubChem Substance
347828251
ChemSpider
23254384
BindingDB
24195
ChEMBL
CHEMBL448343
Wikipedia
Lesogaberan

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceGastro-esophageal Reflux Disease (GERD)2
1CompletedBasic ScienceReflux Disease1
1CompletedBasic ScienceReflux / Renal Excretion1
2Active Not RecruitingTreatmentGastro-esophageal Reflux Disease (GERD)1
2CompletedNot AvailableAcid Reflux Disease / Gastro-esophageal Reflux Disease (GERD) / Heartburn / Regurgitation1
2CompletedBasic ScienceReflux Episodes1
2CompletedTreatmentGastro-esophageal Reflux Disease (GERD)2
2CompletedTreatmentGastro-esophageal Reflux Disease (GERD) / Heartburn / Regurgitation1

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 Solubility132.0 mg/mLALOGPS
logP-1.6ALOGPS
logP-2.8ChemAxon
logS-0.03ALOGPS
pKa (Strongest Acidic)2.16ChemAxon
pKa (Strongest Basic)8.92ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity27.68 m3·mol-1ChemAxon
Polarizability11.49 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
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 organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
Kingdom
Organic compounds
Super Class
Organohalogen compounds
Class
Organofluorides
Sub Class
Not Available
Direct Parent
Organofluorides
Alternative Parents
Organophosphorus compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Alkyl fluorides
Substituents
Organic nitrogen compound / Organic oxygen compound / Organic oxide / Hydrocarbon derivative / Primary amine / Organophosphorus compound / Organonitrogen compound / Organofluoride / Primary aliphatic amine / Amine
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:00 / Updated on June 04, 2019 07:29