Gemigliptin

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

Identification

Summary

Gemigliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor used to manage hyperglycemia in patients with type 2 diabetes mellitus.

Generic Name
Gemigliptin
DrugBank Accession Number
DB12412
Background

Gemigliptin is under investigation in Type 2 Diabetes Mellitus. Gemigliptin has been investigated for the treatment of Cancer and Cisplatin Adverse Reaction.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 489.37
Monoisotopic: 489.141100176
Chemical Formula
C18H19F8N5O2
Synonyms
  • Gemigliptin
External IDs
  • LC-15-0444
  • LC-150444
  • LC15-0444

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Adjunct therapy in treatment ofType 2 diabetes mellitus••••••••••••••••••• ••••••
Used as adjunct in combination to treatType 2 diabetes mellitusRegimen in combination with: Metformin (DB00331)••••••••••••••••••• ••••••
Used as adjunct in combination to treatType 2 diabetes mellitusRegimen in combination with: Metformin (DB00331)••••••••••••••••••• ••••••
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 Gemigliptin.
AcebutololThe therapeutic efficacy of Gemigliptin can be increased when used in combination with Acebutolol.
AcetazolamideThe therapeutic efficacy of Gemigliptin can be increased when used in combination with Acetazolamide.
AcetohexamideGemigliptin may increase the hypoglycemic activities of Acetohexamide.
Acetyl sulfisoxazoleThe therapeutic efficacy of Gemigliptin can be increased when used in combination with Acetyl sulfisoxazole.
Food Interactions
Not Available

Products

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Categories

ATC Codes
A10BH06 — GemigliptinA10BH52 — Gemigliptin and rosuvastatinA10BD18 — Metformin and gemigliptin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Pyridopyrimidines / Piperidinones / Delta lactams / Pyrimidines and pyrimidine derivatives / Tertiary carboxylic acid amides / Heteroaromatic compounds / Azacyclic compounds / Organofluorides / Organic oxides / Monoalkylamines
show 3 more
Substituents
Alkyl fluoride / Alkyl halide / Amine / Aromatic heteropolycyclic compound / Azacycle / Beta amino acid or derivatives / Carbonyl group / Carboxamide group / Delta-lactam / Heteroaromatic compound
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5DHU18M5D6
CAS number
911637-19-9
InChI Key
ZWPRRQZNBDYKLH-VIFPVBQESA-N
InChI
InChI=1S/C18H19F8N5O2/c19-16(20)3-1-12(32)31(8-16)6-9(27)5-13(33)30-4-2-10-11(7-30)28-15(18(24,25)26)29-14(10)17(21,22)23/h9H,1-8,27H2/t9-/m0/s1
IUPAC Name
1-[(2S)-2-amino-4-[2,4-bis(trifluoromethyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
SMILES
N[C@H](CN1CC(F)(F)CCC1=O)CC(=O)N1CCC2=C(C1)N=C(N=C2C(F)(F)F)C(F)(F)F

References

General References
  1. FDA Thailand Product Information: Zemiglo (gemigliptin) oral tablets [Link]
PubChem Compound
11953153
PubChem Substance
347828657
ChemSpider
10127461
ChEBI
134731
ChEMBL
CHEMBL3707235
ZINC
ZINC000068245464
Wikipedia
Gemigliptin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentType 2 Diabetes Mellitus2
4RecruitingTreatmentEjection fraction1
4RecruitingTreatmentType 2 Diabetes Mellitus / Ventricular Remodelling1
4Unknown StatusTreatmentAcarbose / Flow-mediated Vasodilatation (FMD) / Gemigliptin / Type 2 Diabetes Mellitus1
3CompletedTreatmentDyslipidemia / Type 2 Diabetes Mellitus1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, coatedOral50 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.084 mg/mLALOGPS
logP2.02ALOGPS
logP1.72Chemaxon
logS-3.8ALOGPS
pKa (Strongest Basic)8.33Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area92.42 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity97.25 m3·mol-1Chemaxon
Polarizability39.04 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0006-0001900000-42197121ab4b017d85ea
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014s-0001900000-55b860ba85635e442d84
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0107900000-aab16264200c3f2b6e01
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-0208900000-66fe57c81f39419c47f9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fu-1039200000-e2f61bfc7df51036439a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0229-0694100000-92d117d0c9b85da443bf
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-195.30223
predicted
DeepCCS 1.0 (2019)
[M+H]+197.66023
predicted
DeepCCS 1.0 (2019)
[M+Na]+204.41957
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:17 / Updated at May 27, 2021 02:57