Carmegliptin

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

Identification

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Name
Carmegliptin
Accession Number
DB12268
Type
Small Molecule
Groups
Investigational
Description

Carmegliptin has been used in trials studying the treatment of Diabetes Mellitus Type 2.

Structure
Thumb
Synonyms
Not Available
External IDs
R1579 / RO4876904
Categories
UNII
9Z723VGH7J
CAS number
813452-18-5
Weight
Average: 377.453
Monoisotopic: 377.211469982
Chemical Formula
C20H28FN3O3
InChI Key
GUYMHFIHHOEFOA-ZCPGHIKRSA-N
InChI
InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1
IUPAC Name
(4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILES
[H][C@@]1(CF)CN(C(=O)C1)[C@@]1([H])CN2CCC3=CC(OC)=C(OC)C=C3[C@]2([H])C[C@]1([H])N

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2,4-thiazolidinedioneThe risk or severity of hypoglycemia can be increased when 2,4-thiazolidinedione is combined with Carmegliptin.
5-(2-methylpiperazine-1-sulfonyl)isoquinolineThe therapeutic efficacy of Carmegliptin can be increased when used in combination with 5-(2-methylpiperazine-1-sulfonyl)isoquinoline.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypoglycemic activities of Carmegliptin.
AcarboseThe risk or severity of hypoglycemia can be increased when Acarbose is combined with Carmegliptin.
AcetazolamideThe therapeutic efficacy of Carmegliptin can be increased when used in combination with Acetazolamide.
AcetohexamideCarmegliptin may increase the hypoglycemic activities of Acetohexamide.
Acetyl sulfisoxazoleThe therapeutic efficacy of Carmegliptin can be increased when used in combination with Acetyl sulfisoxazole.
Acetylsalicylic acidAcetylsalicylic acid may increase the hypoglycemic activities of Carmegliptin.
AgmatineThe risk or severity of hypoglycemia can be increased when Agmatine is combined with Carmegliptin.
AICA ribonucleotideThe risk or severity of hypoglycemia can be increased when AICA ribonucleotide is combined with Carmegliptin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11417567
PubChem Substance
347828539
ChemSpider
9592454
BindingDB
50309470
ChEMBL
CHEMBL591118
HET
B1Q
PDB Entries
3kwf

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
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 Solubility1.05 mg/mLALOGPS
logP0.72ALOGPS
logP0.24ChemAxon
logS-2.6ALOGPS
pKa (Strongest Basic)9.22ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area68.03 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity100.49 m3·mol-1ChemAxon
Polarizability39.93 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Tetrahydroisoquinolines
Sub Class
Not Available
Direct Parent
Tetrahydroisoquinolines
Alternative Parents
Anisoles / Alkyl aryl ethers / Aminopiperidines / Aralkylamines / Pyrrolidine-2-ones / N-alkylpyrrolidines / Tertiary carboxylic acid amides / Trialkylamines / Amino acids and derivatives / Lactams
show 7 more
Substituents
Tetrahydroisoquinoline / Anisole / Phenol ether / Alkyl aryl ether / 4-aminopiperidine / Aralkylamine / Piperidine / Benzenoid / N-alkylpyrrolidine / Pyrrolidone
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:46 / Updated on June 04, 2019 07:35