JNJ-41443532

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
JNJ-41443532
Accession Number
DB12632
Type
Small Molecule
Groups
Investigational
Description

JNJ-41443532 has been used in trials studying the basic science and treatment of Diabetes Mellitus, Type 2.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
0OJB0LES1A
CAS number
1228650-83-6
Weight
Average: 482.52
Monoisotopic: 482.159946344
Chemical Formula
C22H25F3N4O3S
InChI Key
CFKBNYUHQSQBSX-CYWCHRQTSA-N
InChI
InChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30)/t17-,21-
IUPAC Name
N-{1-[(1r,4r)-4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl}-2-{[3-(trifluoromethyl)phenyl]formamido}acetamide
SMILES
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)C1=CC=CC(=C1)C(F)(F)F)C1=CN=CS1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
46208367
PubChem Substance
347828843
ChemSpider
28649447
BindingDB
50400695
ChEMBL
CHEMBL2204263

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers2
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 Solubility0.00374 mg/mLALOGPS
logP1.75ALOGPS
logP1.58ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)12.93ChemAxon
pKa (Strongest Basic)6.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.56 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity116.71 m3·mol-1ChemAxon
Polarizability46.33 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
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 hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Trifluoromethylbenzenes / Benzoyl derivatives / Aralkylamines / Cyclohexanols / Cyclohexylamines / Thiazoles / Tertiary alcohols / Heteroaromatic compounds
show 11 more
Substituents
Hippuric acid or derivatives / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / N-substituted-alpha-amino acid / Alpha-amino acid or derivatives / Trifluoromethylbenzene / Benzoyl / Aralkylamine / Cyclohexanol / Cyclohexylamine
show 29 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:20 / Updated on June 04, 2019 07:40