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
Structure for Bavisant (DB12299)
- Weight
- Average: 329.444
Monoisotopic: 329.210327121 - Chemical Formula
- C19H27N3O2
- Synonyms
- Bavisant
- External IDs
- JNJ-31001074
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- PubChem Compound
- 16061509
- PubChem Substance
- 347828565
- ChemSpider
- 17221147
- BindingDB
- 50138125
- ChEMBL
- CHEMBL2103862
- ZINC
- ZINC000034962220
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Attention Deficit Hyperactivity Disorder (ADHD) 2 2 Completed Treatment Excessive Daytime Sleepiness / Parkinson's Disease (PD) 1 2 Withdrawn Treatment Alcohol Dependency 1 1 Completed Not Available Drug Drug Interaction (DDI) / Healthy Subjects (HS) / Pharmacokinetics 1 1 Completed Not Available Healthy Subjects (HS) / Pharmacokinetics 1 1 Completed Basic Science Attention Deficit Hyperactivity Disorder (ADHD) 2 1 Withdrawn Not Available Drug Drug Interaction (DDI) / Healthy Subjects (HS) / Pharmacokinetics 1
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
Property Value Source Water Solubility 2.46 mg/mL ALOGPS logP 1.76 ALOGPS logP 1.31 Chemaxon logS -2.1 ALOGPS pKa (Strongest Basic) 7.11 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 36.02 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 95.81 m3·mol-1 Chemaxon Polarizability 38.16 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 21:51 / Updated at February 21, 2021 18:53