JNJ-39393406

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

Identification

Generic Name
JNJ-39393406
DrugBank Accession Number
DB11867
Background

JNJ-39393406 has been used in trials studying the treatment and basic science of DEPRESSION, Schizophrenia, Smoking Cessation, Cognition Disorders, and Alzheimer's Disease.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 416.389
Monoisotopic: 416.14084479
Chemical Formula
C19H18F2N6O3
Synonyms
Not Available
External IDs
  • JNJ 39393406

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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 pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridyltriazoles
Direct Parent
Pyridyl-1,2,4-triazoles
Alternative Parents
Benzodioxoles / Benzenoids / Triazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Amino acids and derivatives / Secondary amines / Oxacyclic compounds / Azacyclic compounds / Organopnictogen compounds
show 5 more
Substituents
1,2,4-triazole / Alkyl fluoride / Alkyl halide / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzodioxole
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
T930SOU82P
CAS number
953428-73-4
InChI Key
IURMHZBQEYNQOH-UHFFFAOYSA-N
InChI
InChI=1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25)
IUPAC Name
3-{3-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)amino]-5-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl}-N,N-dimethylpropanamide
SMILES
CN(C)C(=O)CCN1N=C(NC2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC=NC=C1

References

General References
Not Available
PubChem Compound
16755766
PubChem Substance
347828204
ChemSpider
28424208
ChEMBL
CHEMBL3545291
ZINC
ZINC000114666003
Wikipedia
JNJ-39393406

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedBasic ScienceSmoking, Cessation2
2CompletedTreatmentDepression1
1CompletedNot AvailableHealthy Volunteers1
1CompletedTreatmentHealthy Volunteers2
1TerminatedTreatmentAlzheimer's Disease (AD) / Cognition Disorders / Schizophrenia1

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 Solubility0.0956 mg/mLALOGPS
logP2.79ALOGPS
logP3.01ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)11.4ChemAxon
pKa (Strongest Basic)3.84ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area94.4 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity121.75 m3·mol-1ChemAxon
Polarizability40.15 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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

Drug created on October 20, 2016 20:55 / Updated on June 12, 2020 16:53