Vabicaserin
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Vabicaserin
- DrugBank Accession Number
- DB12071
- Background
Vabicaserin has been used in trials studying the health services research and treatment of Schizophrenia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 228.339
Monoisotopic: 228.162648652 - Chemical Formula
- C15H20N2
- Synonyms
- Vabicaserin
Pharmacology
- Indication
Not Available
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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
- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when Vabicaserin is combined with 1,2-Benzodiazepine. Acenocoumarol The risk or severity of adverse effects can be increased when Vabicaserin is combined with Acenocoumarol. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Vabicaserin. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Vabicaserin. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Vabicaserin. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Vabicaserin Hydrochloride 2759C7222C 887258-94-8 PYPPENBDXAWXJC-QNTKWALQSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzodiazepines
- Sub Class
- 1,4-benzodiazepines
- Direct Parent
- 1,4-benzodiazepines
- Alternative Parents
- Hydroquinolines / Dialkylarylamines / Aralkylamines / Benzenoids / Dialkylamines / Azacyclic compounds / Hydrocarbon derivatives
- Substituents
- 1,4-benzodiazepine / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Dialkylarylamine / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- WD9550HPNL
- CAS number
- 887258-95-9
- InChI Key
- NPTIPEQJIDTVKR-STQMWFEESA-N
- InChI
- InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1
- IUPAC Name
- (12R,16S)-7,10-diazatetracyclo[8.6.1.0^{5,17}.0^{12,16}]heptadeca-1,3,5(17)-triene
- SMILES
- C1C[C@H]2CN3CCNCC4=C3C(=CC=C4)[C@H]2C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11521822
- PubChem Substance
- 347828380
- ChemSpider
- 9696609
- BindingDB
- 50076216
- ChEMBL
- CHEMBL2110670
- ZINC
- ZINC000030691381
- Wikipedia
- Vabicaserin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Schizophrenia 1 1 Completed Health Services Research Schizophrenia 1 1 Completed Treatment Healthy Volunteers (HV) 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 0.252 mg/mL ALOGPS logP 2.8 ALOGPS logP 2.59 Chemaxon logS -3 ALOGPS pKa (Strongest Basic) 8.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 15.27 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 71.5 m3·mol-1 Chemaxon Polarizability 26.72 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0w2j-0960000000-b190f2f152ff65a0b28e Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-146554fb12410a2a8916 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0190000000-1728b6b4b860aabb6e84 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-a6804d90ca6b14841bd9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-4889814e0eebb32f28f6 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-1950000000-572fcdefd314b43fc22f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0940000000-891ee20e7cc1e11d3d9a 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]- 159.77144 predictedDeepCCS 1.0 (2019) [M+H]+ 162.12946 predictedDeepCCS 1.0 (2019) [M+Na]+ 168.2226 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:18 / Updated at February 21, 2021 18:53