JNJ-39220675
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- JNJ-39220675
- DrugBank Accession Number
- DB12929
- Background
JNJ-39220675 has been used in trials studying the treatment of Allergic Rhinitis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 369.44
Monoisotopic: 369.185255188 - Chemical Formula
- C21H24FN3O2
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Ethers
- Direct Parent
- Diarylethers
- Alternative Parents
- Pyridinecarboxylic acids and derivatives / Phenoxy compounds / Phenol ethers / Fluorobenzenes / 1,4-diazepanes / Aryl fluorides / Tertiary carboxylic acid amides / Heteroaromatic compounds / Trialkylamines / Amino acids and derivatives show 4 more
- Substituents
- 1,4-diazepane / Amine / Amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carboxamide group / Carboxylic acid derivative show 20 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 41WC0AZ27V
- CAS number
- 959740-39-7
- InChI Key
- IQOWHZHNGJXGHG-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2
- IUPAC Name
- 1-cyclobutyl-4-[6-(4-fluorophenoxy)pyridine-3-carbonyl]-1,4-diazepane
- SMILES
- FC1=CC=C(OC2=CC=C(C=N2)C(=O)N2CCCN(CC2)C2CCC2)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 24771368
- PubChem Substance
- 347829074
- ChemSpider
- 25034389
- BindingDB
- 50321467
- ChEMBL
- CHEMBL1171754
- ZINC
- ZINC000053298428
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Allergic Rhinitis (AR) 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 0.205 mg/mL ALOGPS logP 3.55 ALOGPS logP 3.11 Chemaxon logS -3.3 ALOGPS pKa (Strongest Basic) 8.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 45.67 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 102.27 m3·mol-1 Chemaxon Polarizability 38.97 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, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0009000000-bb747a252d85b2e6609f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014j-0009000000-c0f0101e006d4520fe57 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0019000000-dfd4a10a0ca1caeec78a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0019000000-10b7024aa41db5a8e08a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01bc-1269000000-d3f773ed469a90770f75 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0295-0694000000-4e258fa48b05b3520808 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]- 187.953 predictedDeepCCS 1.0 (2019) [M+H]+ 190.31099 predictedDeepCCS 1.0 (2019) [M+Na]+ 197.3055 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:21 / Updated at June 12, 2020 16:53