Omarigliptin

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
Omarigliptin
Accession Number
DB11992
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
MK-3102
Categories
UNII
CVP59Q4JE1
CAS number
1226781-44-7
Weight
Average: 398.43
Monoisotopic: 398.12241802
Chemical Formula
C17H20F2N4O3S
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

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
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of angioedema can be increased when Omarigliptin is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
2,4-thiazolidinedioneThe risk or severity of hypoglycemia can be increased when 2,4-thiazolidinedione is combined with Omarigliptin.
5-(2-methylpiperazine-1-sulfonyl)isoquinolineThe therapeutic efficacy of Omarigliptin can be increased when used in combination with 5-(2-methylpiperazine-1-sulfonyl)isoquinoline.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypoglycemic activities of Omarigliptin.
AcarboseThe risk or severity of hypoglycemia can be increased when Acarbose is combined with Omarigliptin.
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.
AgmatineThe risk or severity of hypoglycemia can be increased when Agmatine is combined with Omarigliptin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentRenal Insufficiency,Chronic / Type 2 Diabetes Mellitus1
1CompletedTreatmentType 2 Diabetes Mellitus2
2CompletedTreatmentType 2 Diabetes Mellitus1
3CompletedTreatmentDiabetes Mellitus (DM)1
3CompletedTreatmentType 2 Diabetes Mellitus8
3TerminatedTreatmentType 2 Diabetes Mellitus2
4CompletedTreatmentType 2 Diabetes Mellitus1
Not AvailableCompletedBasic ScienceType 2 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 Solubility0.543 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

Taxonomy

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
Pyrrolopyrazole / Fluorobenzene / Halobenzene / Aralkylamine / Aryl fluoride / Aryl halide / Monocyclic benzene moiety / Benzenoid / Oxane / Azole
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:08 / Updated on June 04, 2019 07:30