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

Identification

Generic Name
JNJ-37822681
DrugBank Accession Number
DB12579
Background

JNJ-37822681 has been used in trials studying the treatment of Schizophrenia.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 372.343
Monoisotopic: 372.137337378
Chemical Formula
C17H17F5N4
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
TargetActionsOrganism
ADopamine D2 receptor
antagonist
Humans
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.
DrugInteraction
ApomorphineThe therapeutic efficacy of Apomorphine can be decreased when used in combination with JNJ-37822681.
AripiprazoleThe therapeutic efficacy of Aripiprazole can be decreased when used in combination with JNJ-37822681.
BenzatropineThe risk or severity of adverse effects can be increased when JNJ-37822681 is combined with Benzatropine.
BrexpiprazoleThe therapeutic efficacy of Brexpiprazole can be decreased when used in combination with JNJ-37822681.
BromocriptineThe therapeutic efficacy of Bromocriptine can be decreased when used in combination with JNJ-37822681.
CabergolineThe therapeutic efficacy of Cabergoline can be decreased when used in combination with JNJ-37822681.
DeutetrabenazineThe risk or severity of adverse effects can be increased when JNJ-37822681 is combined with Deutetrabenazine.
DihydroergocornineThe therapeutic efficacy of Dihydroergocornine can be decreased when used in combination with JNJ-37822681.
DihydroergotamineThe therapeutic efficacy of Dihydroergotamine can be decreased when used in combination with JNJ-37822681.
DopexamineThe therapeutic efficacy of Dopexamine can be decreased when used in combination with JNJ-37822681.
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Benzylpiperidines
Direct Parent
N-benzylpiperidines
Alternative Parents
Phenylmethylamines / Benzylamines / Fluorobenzenes / Aralkylamines / Aminopyridazines / Imidolactams / Aryl fluorides / Heteroaromatic compounds / Trialkylamines / Azacyclic compounds
show 3 more
Substituents
Alkyl fluoride / Alkyl halide / Amine / Aminopyridazine / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid
show 16 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
GJB2URS7NJ
CAS number
935776-74-2
InChI Key
UVUYWJWYRLJHEN-UHFFFAOYSA-N
InChI
InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)
IUPAC Name
N-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyridazin-3-amine
SMILES
FC1=C(F)C=C(CN2CCC(CC2)NC2=CC=C(N=N2)C(F)(F)F)C=C1

References

General References
Not Available
PubChem Compound
16058752
PubChem Substance
347828801
ChemSpider
17218470
BindingDB
50003063
ChEMBL
CHEMBL3234237
ZINC
ZINC000034951380

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentSchizophrenia2

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 Solubility0.0446 mg/mLALOGPS
logP4.24ALOGPS
logP3.14ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)17.74ChemAxon
pKa (Strongest Basic)7.11ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area41.05 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity90.37 m3·mol-1ChemAxon
Polarizability33.39 Å3ChemAxon
Number of Rings3ChemAxon
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/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

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Antagonist
General Function
Potassium channel regulator activity
Specific Function
Dopamine receptor whose activity is mediated by G proteins which inhibit adenylyl cyclase.
Gene Name
DRD2
Uniprot ID
P14416
Uniprot Name
D(2) dopamine receptor
Molecular Weight
50618.91 Da
References
  1. Langlois X, Megens A, Lavreysen H, Atack J, Cik M, te Riele P, Peeters L, Wouters R, Vermeire J, Hendrickx H, Macdonald G, De Bruyn M: Pharmacology of JNJ-37822681, a specific and fast-dissociating D2 antagonist for the treatment of schizophrenia. J Pharmacol Exp Ther. 2012 Jul;342(1):91-105. doi: 10.1124/jpet.111.190702. Epub 2012 Apr 6. [Article]

Drug created at October 20, 2016 23:00 / Updated at June 12, 2020 16:53