This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Evogliptin
- DrugBank Accession Number
- DB12625
- Background
Evogliptin has been used in trials studying the treatment and screening of Osteoporosis, Renal Impairment, Type 2 Diabetes Mellitus, Diabetes Mellitis Type 2, and Diabetes Mellitus, Type 2.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Evogliptin (DB12625)
- Weight
- Average: 401.43
Monoisotopic: 401.192626198 - Chemical Formula
- C19H26F3N3O3
- Synonyms
- Evogliptin
- External IDs
- DA-1229
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 Evogliptin. Acebutolol The therapeutic efficacy of Evogliptin can be increased when used in combination with Acebutolol. Acetazolamide The therapeutic efficacy of Evogliptin can be increased when used in combination with Acetazolamide. Acetohexamide Evogliptin may increase the hypoglycemic activities of Acetohexamide. Acetyl sulfisoxazole The therapeutic efficacy of Evogliptin can be increased when used in combination with Acetyl sulfisoxazole. - Food Interactions
- Not Available
Categories
- ATC Codes
- A10BH07 — Evogliptin
- A10BH — Dipeptidyl peptidase 4 (DPP-4) inhibitors
- A10B — BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
- A10 — DRUGS USED IN DIABETES
- A — ALIMENTARY TRACT AND METABOLISM
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Peptidomimetics
- Sub Class
- Hybrid peptides
- Direct Parent
- Hybrid peptides
- Alternative Parents
- Beta amino acids and derivatives / Alpha amino acids and derivatives / Amphetamines and derivatives / Aralkylamines / Fluorobenzenes / Piperazines / Aryl fluorides / Tertiary carboxylic acid amides / Secondary carboxylic acid amides / Lactams show 8 more
- Substituents
- 1,4-diazinane / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Amphetamine or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle show 27 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 09118300L7
- CAS number
- 1222102-29-5
- InChI Key
- LCDDAGSJHKEABN-MLGOLLRUSA-N
- InChI
- InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1
- IUPAC Name
- (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(tert-butoxy)methyl]piperazin-2-one
- SMILES
- CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25022354
- PubChem Substance
- 347828837
- ChemSpider
- 26339341
- BindingDB
- 50344779
- ChEMBL
- CHEMBL1779710
- ZINC
- ZINC000068267685
- PDBe Ligand
- 8VU
- Wikipedia
- Evogliptin
- PDB Entries
- 5y7k
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Active Not Recruiting Treatment Chronic Hepatitis B Infection / Liver Fibrosis / Type 2 Diabetes Mellitus 1 4 Completed Treatment Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Type 2 Diabetes Mellitus 1 4 Completed Treatment Type 2 Diabetes Mellitus 1 4 Not Yet Recruiting Prevention CAVD 1 4 Not Yet Recruiting Treatment Metabolic Bone Disorder / 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 0.11 mg/mL ALOGPS logP 1.29 ALOGPS logP 1.17 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 13.69 Chemaxon pKa (Strongest Basic) 8.78 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 84.66 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 97.43 m3·mol-1 Chemaxon Polarizability 39.21 Å3 Chemaxon Number of Rings 2 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, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0102900000-fe24e8625ee319ea7e4e Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0012900000-32bcee20ea81827ae5a5 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0g2a-0549200000-93686ed8b9b3a48faef7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udm-3569500000-8ce034e9fa18b570b216 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ab9-1952000000-1aa29db4f1ba3e35e74d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-054k-0915000000-a8d38130eb0d938e131d 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]- 201.62227 predictedDeepCCS 1.0 (2019) [M+H]+ 203.98027 predictedDeepCCS 1.0 (2019) [M+Na]+ 210.8062 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:18 / Updated at February 21, 2021 18:53