NAV

Ipragliflozin

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

Identification

Generic Name
Ipragliflozin
DrugBank Accession Number
DB11698
Background

Ipragliflozin is under investigation in Type 2 Diabetes and Diabetes Mellitus, Type 2.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 404.45
Monoisotopic: 404.109373113
Chemical Formula
C21H21FO5S
Synonyms
  • Ipragliflozin
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

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
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interactions in your software
AcarboseThe risk or severity of hypoglycemia can be increased when Acarbose is combined with Ipragliflozin.
AcebutololThe therapeutic efficacy of Ipragliflozin can be increased when used in combination with Acebutolol.
AcetazolamideThe therapeutic efficacy of Ipragliflozin can be increased when used in combination with Acetazolamide.
AcetohexamideThe risk or severity of hypoglycemia can be increased when Acetohexamide is combined with Ipragliflozin.
Acetyl sulfisoxazoleThe therapeutic efficacy of Ipragliflozin can be increased when used in combination with Acetyl sulfisoxazole.
Food Interactions
Not Available

Categories

ATC Codes
A10BK05 — Ipragliflozin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Phenolic glycosides
Alternative Parents
Hexoses / C-glycosyl compounds / 1-benzothiophenes / 2,3,5-trisubstituted thiophenes / Fluorobenzenes / Oxanes / Aryl fluorides / Heteroaromatic compounds / Secondary alcohols / Polyols
show 5 more
Substituents
1-benzothiophene / 2,3,5-trisubstituted thiophene / Alcohol / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Benzenoid / Benzothiophene / C-glycosyl compound / Dialkyl ether
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3N2N8OOR7X
CAS number
761423-87-4
InChI Key
AHFWIQIYAXSLBA-RQXATKFSSA-N
InChI
InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
IUPAC Name
(2S,3R,4R,5S,6R)-2-{3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(F)C(CC2=CC3=CC=CC=C3S2)=C1

References

General References
Not Available
PubChem Compound
10453870
PubChem Substance
347828063
ChemSpider
8629286
BindingDB
50381554
ChEBI
134724
ChEMBL
CHEMBL2018096
ZINC
ZINC000038897728
Wikipedia
Ipragliflozin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedOtherType 2 Diabetes Mellitus1
4CompletedTreatmentType 2 Diabetes Mellitus3
4CompletedTreatmentType 2 Diabetes With Non-alcoholic Fatty Liver (NAFLD)1
4TerminatedTreatmentType 2 Diabetes Mellitus1
3CompletedTreatmentType 1 Diabetes Mellitus1

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 Solubility0.0299 mg/mLALOGPS
logP2.49ALOGPS
logP2.46Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)12.57Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area90.15 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity102.41 m3·mol-1Chemaxon
Polarizability40.7 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/MSsplash10-0a4i-0007900000-3ad16fb31858d743f3aa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uyj-3169300000-d9661bbcb8bf94cc28a6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05tr-0297200000-df05347aa1c8109e456a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gb9-5096300000-6d3c8652b1fe9509489e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0593100000-01fe4daa38e90cc8cf04
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lu-2090000000-8f5d1079eb7471a488cf
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-184.90584
predicted
DeepCCS 1.0 (2019)
[M+H]+187.3014
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.21391
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:40 / Updated at February 21, 2021 18:53