NAV

Granotapide

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

Identification

Generic Name
Granotapide
DrugBank Accession Number
DB12934
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 718.726
Monoisotopic: 718.250200648
Chemical Formula
C39H37F3N2O8
Synonyms
  • Granotapide
External IDs
  • JTT-130
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alkyl fluoride / Alkyl halide / Aromatic homomonocyclic compound / Benzamide / Benzanilide / Benzoic acid or derivatives / Benzoyl / Biphenyl / Carbonyl group / Carboxamide group
show 15 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
PSZ2YGB0DK
CAS number
594842-13-4
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

References

General References
Not Available
PubChem Compound
11607299
PubChem Substance
347829079
ChemSpider
9782055
ZINC
ZINC000003926851

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/MSsplash10-0fmj-0390073000-0834dfb4868db06293bc
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gi0-0190103000-ad688c5fa4dbb452de4b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udj-3180409200-bad5194db275297aab3a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gi3-1370945000-e4d1b97ade76c54bf1a5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-3040932100-550fadc30384e54abdf7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-0470129100-3f2a4ded7979dbf6ed78
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-254.27141
predicted
DeepCCS 1.0 (2019)
[M+H]+256.0963
predicted
DeepCCS 1.0 (2019)
[M+Na]+261.77103
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:24 / Updated at February 21, 2021 18:54