Trelagliptin
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Trelagliptin is a dipeptidyl peptidase-4 inhibitor indicated in the control of diabetes mellitus.
- Generic Name
- Trelagliptin
- DrugBank Accession Number
- DB15323
- Background
Trelagliptin is under investigation in clinical trial NCT03555591 (Specified Drug-Use Survey of Trelagliptin Tablets "Survey on Long-term Use in Patients With Type 2 Diabetes Mellitus").
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 357.389
Monoisotopic: 357.160103067 - Chemical Formula
- C18H20FN5O2
- Synonyms
- Trelagliptin
Pharmacology
- Indication
Not Available
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Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Adjunct therapy in maintenance of Glycemic index •••••••••••• ••••••• ••••••• ••••••• •••• •••••• - 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
- 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.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzonitriles
- Direct Parent
- Benzonitriles
- Alternative Parents
- Dialkylarylamines / Aminopiperidines / Pyrimidones / Aminopyrimidines and derivatives / Fluorobenzenes / Aryl fluorides / Hydropyrimidines / Vinylogous amides / Heteroaromatic compounds / Ureas show 8 more
- Substituents
- 3-aminopiperidine / Amine / Aminopyrimidine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzonitrile / Carbonitrile / Cyanide show 23 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Q836OWG55H
- CAS number
- 865759-25-7
- InChI Key
- IWYJYHUNXVAVAA-OAHLLOKOSA-N
- InChI
- InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
- IUPAC Name
- 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)-4-fluorobenzonitrile
- SMILES
- CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=CC(F)=CC=C2C#N)C1=O
References
- General References
- FDA Thailand Product Information: ZAFATEK (trelagliptin) oral tablet [Link]
- External Links
- ChemSpider
- 13115365
- BindingDB
- 50335784
- ChEBI
- 134715
- ChEMBL
- CHEMBL1650443
- ZINC
- ZINC000034505198
- PDBe Ligand
- 6RL
- Wikipedia
- Trelagliptin
- PDB Entries
- 5kby
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Type 2 Diabetes Mellitus 3 4 Unknown Status Health Services Research Diabetes Mellitus 1 3 Completed Treatment Type 2 Diabetes Mellitus 1 Not Available Completed Not Available Type 2 Diabetes Mellitus 2 Not Available Completed Basic Science Type 2 Diabetes Mellitus 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet, coated Oral 100 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.215 mg/mL ALOGPS logP 0.83 ALOGPS logP 1.3 Chemaxon logS -3.2 ALOGPS pKa (Strongest Basic) 9.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 93.67 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 104.48 m3·mol-1 Chemaxon Polarizability 35.56 Å3 Chemaxon Number of Rings 3 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 splash10-0a4i-0009000000-a709a437d5adf4015d19 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4r-0029000000-d41f0805b727f7fc7b21 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-16886c61815f41f858df Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4r-0169000000-a7acb3655195602ca891 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05fr-1397000000-b1bc454e1b8bff6d3ee8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0592000000-3f4b8f96402c7e364547 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:14 / Updated at May 14, 2021 01:07