Lafutidine

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

Identification

Name
Lafutidine
Accession Number
DB12770
Type
Small Molecule
Groups
Investigational
Description

Lafutidine has been investigated in Peptic Ulcer, Community-acquired Pneumonia, and Gastroesophageal Reflux Disease (GERD).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
49S4O7ADLC
CAS number
118288-08-7
Weight
Average: 431.55
Monoisotopic: 431.1878776
Chemical Formula
C22H29N3O4S
InChI Key
KMZQAVXSMUKBPD-DJWKRKHSSA-N
InChI
InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-
IUPAC Name
2-[(furan-2-yl)methanesulfinyl]-N-[(2Z)-4-({4-[(piperidin-1-yl)methyl]pyridin-2-yl}oxy)but-2-en-1-yl]acetamide
SMILES
[H]\C(COC1=NC=CC(CN2CCCCC2)=C1)=C(/[H])CN=C(O)CS(=O)CC1=CC=CO1

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
PathwayCategory
Lafutidine H2-Antihistamine ActionDrug action
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2,5-Dimethoxy-4-ethylamphetamine2,5-Dimethoxy-4-ethylamphetamine may decrease the sedative and stimulatory activities of Lafutidine.
2,5-Dimethoxy-4-ethylthioamphetamine2,5-Dimethoxy-4-ethylthioamphetamine may decrease the sedative and stimulatory activities of Lafutidine.
3,4-Methylenedioxyamphetamine3,4-Methylenedioxyamphetamine may decrease the sedative and stimulatory activities of Lafutidine.
4-Bromo-2,5-dimethoxyamphetamine4-Bromo-2,5-dimethoxyamphetamine may decrease the sedative and stimulatory activities of Lafutidine.
AmphetamineAmphetamine may decrease the sedative and stimulatory activities of Lafutidine.
AmprenavirLafutidine can cause a decrease in the absorption of Amprenavir resulting in a reduced serum concentration and potentially a decrease in efficacy.
AtazanavirLafutidine can cause a decrease in the absorption of Atazanavir resulting in a reduced serum concentration and potentially a decrease in efficacy.
BenzphetamineBenzphetamine may decrease the sedative and stimulatory activities of Lafutidine.
Benzylpenicilloyl PolylysineLafutidine may decrease effectiveness of Benzylpenicilloyl Polylysine as a diagnostic agent.
BetahistineThe therapeutic efficacy of Betahistine can be decreased when used in combination with Lafutidine.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0240216
PubChem Compound
5282136
PubChem Substance
347828955
ChemSpider
4445337
ChEBI
31759
ChEMBL
CHEMBL1742461
PharmGKB
PA166110255
Wikipedia
Lafutidine
ATC Codes
A02BA08 — Lafutidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceGastritis Chronic1
1CompletedOtherPeptic Ulcers1
1CompletedTreatmentGastric Ulcer (GU)1
3CompletedTreatmentErosive Esophagitis(EE)1
3CompletedTreatmentReflux, Gastroesophageal1
Not AvailableCompletedNot AvailableCommunity Acquired Pneumonia (CAP) / Gastro-esophageal Reflux Disease (GERD)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
PropertyValueSource
Water Solubility0.243 mg/mLALOGPS
logP2.59ALOGPS
logP0.86ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)8.87ChemAxon
pKa (Strongest Basic)7.94ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area84.67 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity120.24 m3·mol-1ChemAxon
Polarizability45.27 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0uec-0629700000-2cad78fc15f4386b3645
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00di-0319500000-21e5d3163103c305767b

Taxonomy

Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Alkyl aryl ethers
Alternative Parents
Aralkylamines / Piperidines / Pyridines and derivatives / Furans / Heteroaromatic compounds / Amino acids and derivatives / Trialkylamines / Sulfoxides / Secondary carboxylic acid amides / Sulfinyl compounds
show 6 more
Substituents
Alkyl aryl ether / Aralkylamine / Piperidine / Pyridine / Furan / Heteroaromatic compound / Amino acid or derivatives / Carboxamide group / Secondary carboxylic acid amide / Sulfoxide
show 16 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:08 / Updated on November 02, 2018 07:29