JNJ-42396302

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

Identification

Generic Name
JNJ-42396302
DrugBank Accession Number
DB12657
Background

Jnj 42396302 is under investigation in clinical trial NCT01732237 (A Study to Investigate the Pharmacokinetics of JNJ-42396302, JNJ-53773187 and JNJ-42692507 in Healthy Male Participants).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 353.426
Monoisotopic: 353.185175001
Chemical Formula
C19H23N5O2
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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 dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Dialkylarylamines
Alternative Parents
Aminopyridazines / Pyridines and derivatives / N-substituted imidazoles / Morpholines / Heteroaromatic compounds / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Hydrocarbon derivatives
Substituents
Aminopyridazine / Aromatic heteropolycyclic compound / Azacycle / Azole / Dialkyl ether / Dialkylarylamine / Ether / Heteroaromatic compound / Hydrocarbon derivative / Imidazole
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
P5M4972608
CAS number
1298030-18-8
InChI Key
BPLVDYJDAVYLRQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H23N5O2/c1-14-18(15-3-4-16(20-13-15)6-10-25-2)24-19(22-14)17(5-7-21-24)23-8-11-26-12-9-23/h3-5,7,13H,6,8-12H2,1-2H3
IUPAC Name
4-{3-[6-(2-methoxyethyl)pyridin-3-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl}morpholine
SMILES
COCCC1=CC=C(C=N1)C1=C(C)N=C2N1N=CC=C2N1CCOCC1

References

General References
Not Available
PubChem Compound
51352628
PubChem Substance
347828861
ChemSpider
28424205
BindingDB
50397991
ChEMBL
CHEMBL2180408
ZINC
ZINC000068268153

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers (HV)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
PropertyValueSource
Water Solubility0.112 mg/mLALOGPS
logP2.45ALOGPS
logP1.22Chemaxon
logS-3.5ALOGPS
pKa (Strongest Basic)4.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area64.78 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity110.47 m3·mol-1Chemaxon
Polarizability39.66 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fk9-0009000000-7ef4040e93ee2ca1ae36
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-5fb6fb8d9dd48ed3449b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kmr-0096000000-a2bff106474365b4d40b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-0009000000-d5568eb801c7042ab8e6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000g-0092000000-70eadc225f1fd8be1617
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052u-1296000000-a319582543bf98714e36
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-179.51305
predicted
DeepCCS 1.0 (2019)
[M+H]+181.87102
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.95947
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:28 / Updated at June 12, 2020 16:53