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

Identification

Generic Name
Omarigliptin
DrugBank Accession Number
DB11992
Background

Omarigliptin has been used in trials studying the treatment of Type 2 Diabetes Mellitus and Chronic Renal Insufficiency.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 398.43
Monoisotopic: 398.12241802
Chemical Formula
C17H20F2N4O3S
Synonyms
  • Omarigliptin
External IDs
  • MK-3102

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
AcarboseThe risk or severity of hypoglycemia can be increased when Acarbose is combined with Omarigliptin.
AcebutololThe therapeutic efficacy of Omarigliptin can be increased when used in combination with Acebutolol.
AcetazolamideThe therapeutic efficacy of Omarigliptin can be increased when used in combination with Acetazolamide.
AcetohexamideOmarigliptin may increase the hypoglycemic activities of Acetohexamide.
Acetyl sulfisoxazoleThe therapeutic efficacy of Omarigliptin can be increased when used in combination with Acetyl sulfisoxazole.
Acetylsalicylic acidThe risk or severity of hypoglycemia can be increased when Acetylsalicylic acid is combined with Omarigliptin.
AlbiglutideThe risk or severity of hypoglycemia can be increased when Albiglutide is combined with Omarigliptin.
AlclometasoneThe risk or severity of hyperglycemia can be increased when Alclometasone is combined with Omarigliptin.
AlogliptinThe risk or severity of angioedema can be increased when Alogliptin is combined with Omarigliptin.
AlteplaseThe risk or severity of angioedema can be increased when Alteplase is combined with Omarigliptin.
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrrolopyrazoles. These are polycyclic aromatic compounds containing a pyrrole fused to a pyrazole ring. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazole is a 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolopyrazoles
Sub Class
Not Available
Direct Parent
Pyrrolopyrazoles
Alternative Parents
Aralkylamines / Fluorobenzenes / Aryl fluorides / Oxanes / Organosulfonic acids and derivatives / Heteroaromatic compounds / Sulfonyls / Pyrazoles / Pyrroles / Trialkylamines
show 7 more
Substituents
Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzenoid / Dialkyl ether / Ether
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
CVP59Q4JE1
CAS number
1226781-44-7
InChI Key
MKMPWKUAHLTIBJ-ISTRZQFTSA-N
InChI
InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
IUPAC Name
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-{2-methanesulfonyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}oxan-3-amine
SMILES
CS(=O)(=O)N1C=C2CN(CC2=N1)[C@H]1CO[C@@H]([C@@H](N)C1)C1=CC(F)=CC=C1F

References

General References
Not Available
PubChem Compound
46209133
PubChem Substance
347828312
ChemSpider
28424182
BindingDB
50003020
ChEBI
134735
ChEMBL
CHEMBL2105762
ZINC
ZINC000084758480
Wikipedia
Omarigliptin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentType 2 Diabetes Mellitus1
3CompletedTreatmentDiabetes Mellitus1
3CompletedTreatmentType 2 Diabetes Mellitus8
3TerminatedTreatmentType 2 Diabetes Mellitus2
2CompletedTreatmentType 2 Diabetes Mellitus1
1CompletedTreatmentRenal Insufficiency,Chronic / Type 2 Diabetes Mellitus1
1CompletedTreatmentType 2 Diabetes Mellitus2
Not AvailableCompletedBasic ScienceType 2 Diabetes Mellitus1
Not AvailableRecruitingBasic ScienceHealthy Subjects (HS)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 Solubility0.543 mg/mLALOGPS
logP0.63ALOGPS
logP0.1ChemAxon
logS-2.9ALOGPS
pKa (Strongest Basic)8.81ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area90.45 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity95.14 m3·mol-1ChemAxon
Polarizability39.42 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

Drug created at October 20, 2016 21:08 / Updated at February 21, 2021 18:53