JNJ-40346527

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-40346527
Accession Number
DB12504
Type
Small Molecule
Groups
Investigational
Description

JNJ-40346527 has been used in trials studying the treatment of Health and Arthritis, Rheumatoid.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
3NU609VYNF
CAS number
1142363-52-7
Weight
Average: 461.61
Monoisotopic: 461.279075387
Chemical Formula
C27H35N5O2
InChI Key
BNVPFDRNGHMRJS-UHFFFAOYSA-N
InChI
InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)
IUPAC Name
5-cyano-N-[2-(4,4-dimethylcyclohex-1-en-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide
SMILES
CC1(C)CCC(=CC1)C1=C(NC(=O)C2=NC=C(N2)C#N)C=CC(=N1)C1CC(C)(C)OC(C)(C)C1

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
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

References

General References
Not Available
External Links
PubChem Compound
25230468
PubChem Substance
347828735
ChemSpider
34951020
BindingDB
98634
ChEMBL
CHEMBL3674570
Wikipedia
Colony_stimulating_factor_1_receptor

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealth1
1RecruitingTreatmentAdenocarcinoma of the Prostate / Adenocarcinoma, Prostate / Malignant Neoplasms of Male Genital Organs / Prostate Cancer / Stage III Prostate Cancer AJCC v8 / Stage IIIA Prostate Cancer AJCC v8 / Stage IIIB Prostate Cancer AJCC v8 / Stage IIIC Prostate Cancer AJCC v8 / Testosterone Greater Than 150 ng/dL1
2CompletedTreatmentRheumatoid Arthritis1
2RecruitingTreatmentRecurrent Adult Acute Myeloid Leukemia / Refractory Acute Myeloid Leukemia1

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 Solubility0.00687 mg/mLALOGPS
logP5.58ALOGPS
logP4.53ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)5.81ChemAxon
pKa (Strongest Basic)4.19ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area103.69 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity134.62 m3·mol-1ChemAxon
Polarizability53.55 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
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, 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 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acid derivatives
Direct Parent
2-heteroaryl carboxamides
Alternative Parents
Pyridines and derivatives / Oxanes / Imidazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Oxacyclic compounds / Nitriles / Dialkyl ethers / Azacyclic compounds / Organic oxides
show 1 more
Substituents
2-heteroaryl carboxamide / Oxane / Pyridine / Azole / Imidazole / Heteroaromatic compound / Secondary carboxylic acid amide / Dialkyl ether / Ether / Carbonitrile
show 12 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:38 / Updated on September 02, 2019 19:42