Omarigliptin
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcarbose The risk or severity of hypoglycemia can be increased when Acarbose is combined with Omarigliptin. Acebutolol The therapeutic efficacy of Omarigliptin can be increased when used in combination with Acebutolol. Acetazolamide The therapeutic efficacy of Omarigliptin can be increased when used in combination with Acetazolamide. Acetohexamide Omarigliptin may increase the hypoglycemic activities of Acetohexamide. Acetyl sulfisoxazole The therapeutic efficacy of Omarigliptin can be increased when used in combination with Acetyl sulfisoxazole. - 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
- External Links
- PubChem Compound
- 46209133
- PubChem Substance
- 347828312
- ChemSpider
- 28424182
- BindingDB
- 50003020
- ChEBI
- 134735
- ChEMBL
- CHEMBL2105762
- ZINC
- ZINC000084758480
- Wikipedia
- Omarigliptin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Type 2 Diabetes Mellitus 1 3 Completed Treatment Diabetes Mellitus 1 3 Completed Treatment Type 2 Diabetes Mellitus 8 3 Terminated Treatment Type 2 Diabetes Mellitus 2 2 Completed Treatment Type 2 Diabetes Mellitus 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
Property Value Source Water Solubility 0.543 mg/mL ALOGPS logP 0.63 ALOGPS logP 0.1 Chemaxon logS -2.9 ALOGPS pKa (Strongest Basic) 8.81 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.45 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 95.14 m3·mol-1 Chemaxon Polarizability 39.42 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-a0ce09e82983a92028ad Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-d56534c9bc789493d89c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-dbf2bb5ec54c621065f3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014j-1039000000-0e0b1583f98fb5d9929f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4s-0193000000-c974aa0fb4de021b342e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9131000000-440f12af6ba53198b226 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 177.41667 predictedDeepCCS 1.0 (2019) [M+H]+ 179.81223 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.72475 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:08 / Updated at February 21, 2021 18:53