Ilaprazole

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

Identification

Name
Ilaprazole
Accession Number
DB11964
Type
Small Molecule
Groups
Investigational
Description

Ilaprazole has been investigated in Helicobacter Infections.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
776Q6XX45J
CAS number
172152-36-2
Weight
Average: 366.44
Monoisotopic: 366.11504701
Chemical Formula
C19H18N4O2S
InChI Key
HRRXCXABAPSOCP-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)
IUPAC Name
2-[(4-methoxy-3-methylpyridin-2-yl)methanesulfinyl]-5-(1H-pyrrol-1-yl)-1H-1,3-benzodiazole
SMILES
COC1=C(C)C(C[S+]([O-])C2=NC3=CC(=CC=C3N2)N2C=CC=C2)=NC=C1

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
DrugInteraction
MethotrexateThe excretion of Methotrexate can be decreased when combined with Ilaprazole.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
214351
PubChem Substance
347828288
ChemSpider
185839
ChEBI
135544
ChEMBL
CHEMBL2106370
PharmGKB
PA165947499
Wikipedia
Ilaprazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers / Ilaprazole / Pharmacodynamics / Pharmacokinetics1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentDrug Interaction Potentiation1
2CompletedTreatmentDuodenal Ulcer1
2CompletedTreatmentEsophagitis1
2CompletedTreatmentPeptic ulcer haemorrhage1
2Unknown StatusTreatmentGastro-esophageal Reflux Disease (GERD)1
2, 3CompletedTreatmentDuodenal Ulcer1
3CompletedTreatmentDuodenal Ulcer1
3CompletedTreatmentErosive Esophagitis(EE) / Gastro-esophageal Reflux Disease (GERD)1
3CompletedTreatmentGastro-esophageal Reflux Disease (GERD)1
3CompletedTreatmentPeptic Ulcers1
3CompletedTreatmentPeptic ulcer haemorrhage1
3Not Yet RecruitingTreatmentNon-erosive Reflux Disease (NERD)1
4CompletedNot AvailableHelicobacter Infections1
4CompletedTreatmentEradication Therapy of Helicobacter Pylori1
4CompletedTreatmentHelicobacter Infections1
4CompletedTreatmentPeptic Ulcers1
4CompletedTreatmentUpper Gastrointestinal Subepithelial Tumors1
4Not Yet RecruitingTreatmentAntimicrobial Susceptibility Testing / Triple Therapy1
4RecruitingTreatmentMalignant Neoplasm of Stomach1

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 Solubility0.0934 mg/mLALOGPS
logP2.42ALOGPS
logP3.04ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)10.27ChemAxon
pKa (Strongest Basic)4.27ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area72.8 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity111.91 m3·mol-1ChemAxon
Polarizability40 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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 sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzimidazoles
Sub Class
Sulfinylbenzimidazoles
Direct Parent
Sulfinylbenzimidazoles
Alternative Parents
Methylpyridines / Alkyl aryl ethers / Substituted pyrroles / Benzenoids / Imidazoles / Heteroaromatic compounds / Sulfoxides / Sulfinyl compounds / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
Sulfinylbenzimidazole / Alkyl aryl ether / Methylpyridine / Pyridine / Substituted pyrrole / Benzenoid / Azole / Imidazole / Pyrrole / Heteroaromatic compound
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:06 / Updated on November 02, 2018 07:18