Bavisant
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
- Weight
- Average: 329.444
Monoisotopic: 329.210327121 - Chemical Formula
- C19H27N3O2
- Synonyms
- Bavisant
- External IDs
- JNJ-31001074
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AHistamine H3 receptor antagonistHumans - 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. View sample adverse effects data in our new Data Library!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
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Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Attention Deficit Hyperactivity Disorder (ADHD) 2 somestatus stop reason just information to hide 2 Completed Treatment Excessive Daytime Sleepiness / Parkinson's Disease (PD) 1 somestatus stop reason just information to hide 2 Withdrawn Treatment Alcohol Dependency 1 somestatus stop reason just information to hide 1 Completed Not Available Drug Drug Interaction (DDI) / Healthy Volunteers (HV) / Pharmacokinetics 1 somestatus stop reason just information to hide 1 Completed Not Available Healthy Volunteers (HV) / Pharmacokinetics 1 somestatus stop reason just information to hide
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 splash10-001i-0009000000-1440edb9d2f94511af06 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0009000000-295e1b3e8a1b5e2f26fe Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0098000000-6538604851143e593a30 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-1198000000-5a98187f8b077bd26190 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fhc-1394000000-30bccbc66400a181f462 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01ti-3393000000-a9a0c3442b0747cf1db3 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 177.44188 predictedDeepCCS 1.0 (2019) [M+H]+ 179.79988 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.89302 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsHistamine H3 receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- The H3 subclass of histamine receptors could mediate the histamine signals in CNS and peripheral nervous system. Signals through the inhibition of adenylate cyclase and displays high constitutive activity (spontaneous activity in the absence of agonist). Agonist stimulation of isoform 3 neither modified adenylate cyclase activity nor induced intracellular calcium mobilization
- Specific Function
- G protein-coupled acetylcholine receptor activity
- Gene Name
- HRH3
- Uniprot ID
- Q9Y5N1
- Uniprot Name
- Histamine H3 receptor
- Molecular Weight
- 48670.81 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:51 / Updated at August 27, 2024 19:15