NAV

Bavisant

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

Identification

Generic Name
Bavisant
DrugBank Accession Number
DB12299
Background

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.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 329.444
Monoisotopic: 329.210327121
Chemical Formula
C19H27N3O2
Synonyms
  • Bavisant
External IDs
  • JNJ-31001074
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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

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 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
1,4-diazinane / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzamide / Benzoyl / Benzylamine / Carboxamide group
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
9827P7LFVH
CAS number
929622-08-2
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

References

General References
Not Available
PubChem Compound
16061509
PubChem Substance
347828565
ChemSpider
17221147
BindingDB
50138125
ChEMBL
CHEMBL2103862
ZINC
ZINC000034962220

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAttention Deficit Hyperactivity Disorder (ADHD)2
2CompletedTreatmentExcessive Daytime Sleepiness / Parkinson's Disease (PD)1
2WithdrawnTreatmentAlcohol Dependency1
1CompletedNot AvailableDrug Drug Interaction (DDI) / Healthy Volunteers (HV) / Pharmacokinetics1
1CompletedNot AvailableHealthy Volunteers (HV) / Pharmacokinetics1

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/MSsplash10-001i-0009000000-1440edb9d2f94511af06
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-295e1b3e8a1b5e2f26fe
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0098000000-6538604851143e593a30
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1198000000-5a98187f8b077bd26190
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fhc-1394000000-30bccbc66400a181f462
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ti-3393000000-a9a0c3442b0747cf1db3
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-177.44188
predicted
DeepCCS 1.0 (2019)
[M+H]+179.79988
predicted
DeepCCS 1.0 (2019)
[M+Na]+185.89302
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:51 / Updated at February 21, 2021 18:53