Vabicaserin

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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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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Vabicaserin is combined with 1,2-Benzodiazepine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Vabicaserin is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Vabicaserin.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Vabicaserin.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Vabicaserin.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Vabicaserin Hydrochloride2759C7222C887258-94-8PYPPENBDXAWXJC-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
PubChem Compound
11521822
PubChem Substance
347828380
ChemSpider
9696609
BindingDB
50076216
ChEMBL
CHEMBL2110670
ZINC
ZINC000030691381
Wikipedia
Vabicaserin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentSchizophrenia1
1CompletedHealth Services ResearchSchizophrenia1
1CompletedTreatmentHealthy 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
PropertyValueSource
Water Solubility0.252 mg/mLALOGPS
logP2.8ALOGPS
logP2.59Chemaxon
logS-3ALOGPS
pKa (Strongest Basic)8.9Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area15.27 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity71.5 m3·mol-1Chemaxon
Polarizability26.72 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0w2j-0960000000-b190f2f152ff65a0b28e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-146554fb12410a2a8916
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0190000000-1728b6b4b860aabb6e84
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-a6804d90ca6b14841bd9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-4889814e0eebb32f28f6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-1950000000-572fcdefd314b43fc22f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0940000000-891ee20e7cc1e11d3d9a
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]-159.77144
predicted
DeepCCS 1.0 (2019)
[M+H]+162.12946
predicted
DeepCCS 1.0 (2019)
[M+Na]+168.2226
predicted
DeepCCS 1.0 (2019)

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