Bavisant

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
Bavisant
Accession Number
DB12299
Type
Small Molecule
Groups
Investigational
Description

Bavisant has been used in trials studying the basic science and treatment of Alcoholism, Pharmacokinetics, Drug Interactions, Attention Deficit Hyperactivity Disorder, and Attention Deficit Disorders With Hyperactivity.

Structure
Thumb
Synonyms
Not Available
External IDs
JNJ-31001074
Categories
UNII
9827P7LFVH
CAS number
929622-08-2
Weight
Average: 329.444
Monoisotopic: 329.210327121
Chemical Formula
C19H27N3O2
InChI Key
BGBVSGSIXIIREO-UHFFFAOYSA-N
InChI
InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
IUPAC Name
4-{[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]methyl}morpholine
SMILES
O=C(N1CCN(CC1)C1CC1)C1=CC=C(CN2CCOCC2)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
16061509
PubChem Substance
347828565
ChemSpider
17221147
BindingDB
50138125
ChEMBL
CHEMBL2103862

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableDrug Drug Interaction (DDI) / Healthy Volunteers / Pharmacokinetics1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics1
1CompletedBasic ScienceAttention Deficit Disorder With Hyperactivity (ADHD) / Attention Deficit Disorders With Hyperactivity2
1WithdrawnNot AvailableDrug Drug Interaction (DDI) / Healthy Volunteers / Pharmacokinetics1
2CompletedTreatmentAttention Deficit Disorder With Hyperactivity (ADHD)2
2CompletedTreatmentExcessive Daytime Sleepiness / Parkinson's Disease (PD)1
2WithdrawnTreatmentAlcohol Dependence1

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 Solubility2.46 mg/mLALOGPS
logP1.76ALOGPS
logP1.31ChemAxon
logS-2.1ALOGPS
pKa (Strongest Basic)7.11ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area36.02 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity95.81 m3·mol-1ChemAxon
Polarizability38.16 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
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 benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Benzamides
Alternative Parents
Phenylmethylamines / Benzylamines / Benzoyl derivatives / N-alkylpiperazines / Aralkylamines / Morpholines / Tertiary carboxylic acid amides / Trialkylamines / Amino acids and derivatives / Oxacyclic compounds
show 4 more
Substituents
Benzamide / Benzoyl / Benzylamine / Phenylmethylamine / Aralkylamine / N-alkylpiperazine / 1,4-diazinane / Morpholine / Piperazine / Oxazinane
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:51 / Updated on September 02, 2019 19:39