NAV

Anagliptin

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

Identification

Generic Name
Anagliptin
DrugBank Accession Number
DB12417
Background

Anagliptin is under investigation for the treatment of LDL Cholesterol, Coronary Disease, Diabetes Mellitus, Glycosylated Hemoglobin, and Dipeptidyl-Peptidase 4 Inhibitors.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 383.456
Monoisotopic: 383.206973073
Chemical Formula
C19H25N7O2
Synonyms
  • Anagliptin
External IDs
  • CWP-403
  • SK-0403
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Pharmacology

Indication

Not Available

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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
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interactions in your software
AcarboseThe risk or severity of hypoglycemia can be increased when Acarbose is combined with Anagliptin.
AcebutololThe therapeutic efficacy of Anagliptin can be increased when used in combination with Acebutolol.
AcetazolamideThe therapeutic efficacy of Anagliptin can be increased when used in combination with Acetazolamide.
AcetohexamideAnagliptin may increase the hypoglycemic activities of Acetohexamide.
Acetyl sulfisoxazoleThe therapeutic efficacy of Anagliptin 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 alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Pyrimidinecarboxamides / Pyrazolo[1,5-a]pyrimidines / N-acylpyrrolidines / Vinylogous amides / Tertiary carboxylic acid amides / Pyrazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Nitriles / Dialkylamines
show 4 more
Substituents
Alpha-amino acid amide / Amine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carbonitrile / Carbonyl group / Carboxamide group / Cyanide / Heteroaromatic compound
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
K726J96838
CAS number
739366-20-2
InChI Key
LDXYBEHACFJIEL-HNNXBMFYSA-N
InChI
InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
IUPAC Name
N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILES
CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N

References

General References
Not Available
PubChem Compound
44513473
PubChem Substance
347828661
ChemSpider
28492667
BindingDB
50359366
ChEBI
136043
ChEMBL
CHEMBL1929396
ZINC
ZINC000070647144
PDBe Ligand
SKK
Wikipedia
Anagliptin
PDB Entries
3wqh

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentCholesterol, LDL / Coronary Heart Disease (CHD) / Diabetes Mellitus / Dipeptidyl-Peptidase 4 Inhibitors / Glycosylated Hemoglobin1
4CompletedTreatmentType 2 Diabetes Mellitus1
3CompletedTreatmentType 2 Diabetes Mellitus2
2CompletedNot AvailableType 2 Diabetes Mellitus1
2CompletedTreatmentType 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 Solubility0.179 mg/mLALOGPS
logP0.7ALOGPS
logP-0.54Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)13.3Chemaxon
pKa (Strongest Basic)8.29Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area115.42 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity114.17 m3·mol-1Chemaxon
Polarizability40.91 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/MSsplash10-001i-0019000000-5dfa02c83b6b5c16137c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-0179000000-baf7a6dd3cb7e7672287
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01x0-4693000000-04c05d52b1d639a78c57
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9757000000-c7a260bf3fe2819b96ed
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-5913000000-3e4dc4a50badb8135e3f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9201000000-2730eac979ee469c8c46
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]-180.21455
predicted
DeepCCS 1.0 (2019)
[M+H]+182.57256
predicted
DeepCCS 1.0 (2019)
[M+Na]+189.63054
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:18 / Updated at February 21, 2021 18:53