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JNJ-28330835

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

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Data Packages
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Identification

Generic Name
JNJ-28330835
DrugBank Accession Number
DB13936
Background

A selective androgen receptor modulator with minimal prostate hypertrophic activity, enhances lean body mass in male rats and stimulates sexual behavior in female rats.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 364.251
Monoisotopic: 364.075879936
Chemical Formula
C14H10F6N4O
Synonyms
Not Available
External IDs
  • JNJ-28330835
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Pharmacology

Indication

Not Available

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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
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
544SF265DA
CAS number
888072-47-7
InChI Key
RYBKPGYFXRNMMU-LBPRGKRZSA-N
InChI
InChI=1S/C14H10F6N4O/c1-12(5-10(23-24-12)14(18,19)20)11(25)22-8-3-2-7(6-21)9(4-8)13(15,16)17/h2-4,24H,5H2,1H3,(H,22,25)/t12-/m0/s1
IUPAC Name
(5S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILES
[H]N(C(=O)[C@]1(C)CC(=NN1[H])C(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F

References

General References
Not Available
ChemSpider
9878029
ChEMBL
CHEMBL242469
ZINC
ZINC000028710419

Clinical Trials

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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0132 mg/mLALOGPS
logP3.48ALOGPS
logP3.41Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)12.76Chemaxon
pKa (Strongest Basic)-1.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area77.28 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity86.73 m3·mol-1Chemaxon
Polarizability28.5 Å3Chemaxon
Number of Rings2Chemaxon
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, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-b7d127bb30eb935a4c8e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-4a61720775e4bb0449af
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-128a1e3177ed6f6f531c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-0019000000-eddf442b81ae6977520a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-2921000000-227c2906ee5a714310e3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-5690000000-28e79d136327763347d8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 22, 2017 19:04 / Updated at June 12, 2020 16:53