JNJ-42396302
Star0
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 ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- 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
- External Links
- PubChem Compound
- 51352628
- PubChem Substance
- 347828861
- ChemSpider
- 28424205
- BindingDB
- 50397991
- ChEMBL
- CHEMBL2180408
- ZINC
- ZINC000068268153
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Healthy 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
Property Value Source Water Solubility 0.112 mg/mL ALOGPS logP 2.45 ALOGPS logP 1.22 Chemaxon logS -3.5 ALOGPS pKa (Strongest Basic) 4.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 64.78 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 110.47 m3·mol-1 Chemaxon Polarizability 39.66 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0fk9-0009000000-7ef4040e93ee2ca1ae36 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-5fb6fb8d9dd48ed3449b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0kmr-0096000000-a2bff106474365b4d40b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0uk9-0009000000-d5568eb801c7042ab8e6 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000g-0092000000-70eadc225f1fd8be1617 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-052u-1296000000-a319582543bf98714e36 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.51305 predictedDeepCCS 1.0 (2019) [M+H]+ 181.87102 predictedDeepCCS 1.0 (2019) [M+Na]+ 188.95947 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:28 / Updated at June 12, 2020 16:53