Granotapide

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
Granotapide
Accession Number
DB12934
Type
Small Molecule
Groups
Investigational
Description

Granotapide has been used in trials studying the treatment of Type II Diabetes Mellitus.

Structure
Thumb
Synonyms
Not Available
External IDs
JTT-130
Categories
UNII
PSZ2YGB0DK
CAS number
594842-13-4
Weight
Average: 718.726
Monoisotopic: 718.250200648
Chemical Formula
C39H37F3N2O8
InChI Key
FPUQGCOBYOXAED-UHFFFAOYSA-N
InChI
InChI=1S/C39H37F3N2O8/c1-5-50-36(48)38(37(49)51-6-2,27-12-8-7-9-13-27)24-52-33(45)23-25-16-21-32(31(22-25)35(47)44(3)4)43-34(46)30-15-11-10-14-29(30)26-17-19-28(20-18-26)39(40,41)42/h7-22H,5-6,23-24H2,1-4H3,(H,43,46)
IUPAC Name
1,3-diethyl 2-[({2-[3-(dimethylcarbamoyl)-4-[4'-(trifluoromethyl)-[1,1'-biphenyl]-2-amido]phenyl]acetyl}oxy)methyl]-2-phenylpropanedioate
SMILES
CCOC(=O)C(COC(=O)CC1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C(=C1)C(=O)N(C)C)(C(=O)OCC)C1=CC=CC=C1

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
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

References

General References
Not Available
External Links
PubChem Compound
11607299
PubChem Substance
347829079
ChemSpider
9782055

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 Solubility0.000104 mg/mLALOGPS
logP5.93ALOGPS
logP7.47ChemAxon
logS-6.8ALOGPS
pKa (Strongest Acidic)13.44ChemAxon
pKa (Strongest Basic)-1.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area128.31 Å2ChemAxon
Rotatable Bond Count17ChemAxon
Refractivity188.36 m3·mol-1ChemAxon
Polarizability71.42 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
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/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 benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Benzanilides
Alternative Parents
Biphenyls and derivatives / Trifluoromethylbenzenes / Tricarboxylic acids and derivatives / Benzamides / Benzoyl derivatives / Vinylogous amides / Tertiary carboxylic acid amides / Secondary carboxylic acid amides / Carboxylic acid esters / Organonitrogen compounds
show 5 more
Substituents
Benzanilide / Biphenyl / Trifluoromethylbenzene / Benzamide / Benzoic acid or derivatives / Tricarboxylic acid or derivatives / Benzoyl / Tertiary carboxylic acid amide / Vinylogous amide / Secondary carboxylic acid amide
show 15 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:24 / Updated on September 02, 2019 19:50