Granotapide
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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
- Weight
- Average: 718.726
Monoisotopic: 718.250200648 - Chemical Formula
- C39H37F3N2O8
- Synonyms
- Granotapide
- External IDs
- JTT-130
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 11607299
- PubChem Substance
- 347829079
- ChemSpider
- 9782055
- ZINC
- ZINC000003926851
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Type 2 Diabetes Mellitus 1
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
Property Value Source Water Solubility 0.000104 mg/mL ALOGPS logP 5.93 ALOGPS logP 7.47 Chemaxon logS -6.8 ALOGPS pKa (Strongest Acidic) 13.44 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 128.31 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 188.36 m3·mol-1 Chemaxon Polarizability 71.42 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 254.27141 predictedDeepCCS 1.0 (2019) [M+H]+ 256.0963 predictedDeepCCS 1.0 (2019) [M+Na]+ 261.77103 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:24 / Updated at February 21, 2021 18:54