Vabicaserin

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Vabicaserin
Accession Number
DB12071
Type
Small Molecule
Groups
Investigational
Description

Vabicaserin has been used in trials studying the health services research and treatment of Schizophrenia.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Vabicaserin Hydrochloride2759C7222C887258-94-8PYPPENBDXAWXJC-QNTKWALQSA-N
Categories
UNII
WD9550HPNL
CAS number
887258-95-9
Weight
Average: 228.339
Monoisotopic: 228.162648652
Chemical Formula
C15H20N2
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of adverse effects can be increased when Vabicaserin is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of adverse effects can be increased when Vabicaserin is combined with (S)-Warfarin.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of serotonin syndrome can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Vabicaserin.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when Vabicaserin is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Vabicaserin.
4-Bromo-2,5-dimethoxyphenethylamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyphenethylamine is combined with Vabicaserin.
4-hydroxycoumarinThe risk or severity of adverse effects can be increased when Vabicaserin is combined with 4-hydroxycoumarin.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Vabicaserin.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Vabicaserin is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Vabicaserin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

    Learn more
  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

    Learn more
  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11521822
PubChem Substance
347828380
ChemSpider
9696609
BindingDB
50076216
ChEMBL
CHEMBL2110670
Wikipedia
Vabicaserin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedHealth Services ResearchSchizophrenic Disorders1
1CompletedTreatmentHealthy Volunteers1
2CompletedTreatmentSchizophrenic Disorders1

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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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 / Tetrahydroquinoline / Dialkylarylamine / Tertiary aliphatic/aromatic amine / Aralkylamine / Benzenoid / Tertiary amine / Azacycle / Secondary amine / Secondary aliphatic amine
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:18 / Updated on June 04, 2019 07:31