NAV

Usistapide

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

Identification

Generic Name
Usistapide
DrugBank Accession Number
DB12414
Background

Usistapide has been used in trials studying the treatment of Obesity, Overweight, Metabolic Diseases, Nutrition Disorders, and Nutritional and Metabolic Diseases.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 572.628
Monoisotopic: 572.228677355
Chemical Formula
C34H31F3N2O3
Synonyms
  • Usistapide
External IDs
  • JNJ-16269110
  • JNJ16269110
  • R-256918
  • R256918
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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
Not Available
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
Alpha amino acid esters / Phenylpiperidines / Biphenyls and derivatives / Trifluoromethylbenzenes / Benzamides / Benzoyl derivatives / Aralkylamines / Methyl esters / Trialkylamines / Secondary carboxylic acid amides
show 7 more
Substituents
Alkyl fluoride / Alkyl halide / Alpha-amino acid ester / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzamide
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
73YSY3U094
CAS number
403989-79-7
InChI Key
WSYALRNYQFNNGP-WJOKGBTCSA-N
InChI
InChI=1S/C34H31F3N2O3/c1-42-33(41)31(26-7-3-2-4-8-26)39-21-19-24(20-22-39)23-13-17-28(18-14-23)38-32(40)30-10-6-5-9-29(30)25-11-15-27(16-12-25)34(35,36)37/h2-18,24,31H,19-22H2,1H3,(H,38,40)/t31-/m1/s1
IUPAC Name
methyl (2R)-2-phenyl-2-(4-{4-[4'-(trifluoromethyl)-[1,1'-biphenyl]-2-amido]phenyl}piperidin-1-yl)acetate
SMILES
COC(=O)[C@H](N1CCC(CC1)C1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C=C1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
56842069
PubChem Substance
347828658
ChemSpider
30790864
ZINC
ZINC000068199989

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetes Mellitus / Endocrine System Diseases / Nutritional and Metabolic Diseases / Type 2 Diabetes Mellitus1
2CompletedTreatmentMetabolic Diseases / Nutrition Disorders / Nutritional and Metabolic Diseases / Obesity / Overweight2

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 Solubility6.97e-05 mg/mLALOGPS
logP6.35ALOGPS
logP7.64Chemaxon
logS-6.9ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)7.03Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area58.64 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity158.63 m3·mol-1Chemaxon
Polarizability59.88 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-01ot-0070090000-d3a84911ab5f4799bc12
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0000390000-b6afd7d16b869eb1c254
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0090460000-41f6a9700b06674459cf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dj-3190310000-a1f6c07091fc303980f0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-2230490000-5d95f4560c4ad2ac14fd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fkc-1160390000-abf9388de38fa9e9e4aa
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-221.14566
predicted
DeepCCS 1.0 (2019)
[M+H]+223.04108
predicted
DeepCCS 1.0 (2019)
[M+Na]+228.84991
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:17 / Updated at February 21, 2021 18:53