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

Identification

Generic Name
Lerisetron
DrugBank Accession Number
DB12964
Background

Lerisetron has been used in trials studying the supportive care of Nausea and Vomiting and Testicular Germ Cell Tumor.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 292.386
Monoisotopic: 292.16879666
Chemical Formula
C18H20N4
Synonyms
  • Lerisetron

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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.
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 n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Benzimidazoles / Dialkylarylamines / N-substituted imidazoles / Benzene and substituted derivatives / Aminoimidazoles / Heteroaromatic compounds / Dialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aminoimidazole / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Dialkylarylamine / Heteroaromatic compound / Hydrocarbon derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Q36R82SXRG
CAS number
143257-98-1
InChI Key
PWWDCRQZITYKDV-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
IUPAC Name
1-benzyl-2-(piperazin-1-yl)-1H-1,3-benzodiazole
SMILES
C(N1C2=CC=CC=C2N=C1N1CCNCC1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
65997
PubChem Substance
347829104
ChemSpider
59389
BindingDB
50103072
ChEMBL
CHEMBL56900
ZINC
ZINC000000007943
Wikipedia
Lerisetron

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Unknown StatusSupportive CareNausea and vomiting / Testicular germ cell tumour1

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 Solubility0.435 mg/mLALOGPS
logP3.01ALOGPS
logP3.46Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)8.84Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area33.09 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity89.14 m3·mol-1Chemaxon
Polarizability32.97 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 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

Drug created at October 21, 2016 01:38 / Updated at February 21, 2021 18:54