Gepirone

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

Identification

Name
Gepirone
Accession Number
DB12184
Type
Small Molecule
Groups
Investigational
Description

Gepirone has been used in trials studying the treatment of Cocaine-Related Disorders.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Gepirone Hydrochloride80C9L8EP6V83928-66-9DGOCVISYYYQFEP-UHFFFAOYSA-N
Categories
UNII
JW5Y7B8Z18
CAS number
83928-76-1
Weight
Average: 359.474
Monoisotopic: 359.232125194
Chemical Formula
C19H29N5O2
InChI Key
QOIGKGMMAGJZNZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
IUPAC Name
4,4-dimethyl-1-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}piperidine-2,6-dione
SMILES
CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1

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 Gepirone is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of adverse effects can be increased when Gepirone 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 Gepirone.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of serotonin syndrome can be increased when Gepirone is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-MethylenedioxyamphetamineThe risk or severity of serotonin syndrome can be increased when 3,4-Methylenedioxyamphetamine is combined with Gepirone.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of serotonin syndrome can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Gepirone.
4-hydroxycoumarinThe risk or severity of adverse effects can be increased when Gepirone is combined with 4-hydroxycoumarin.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Gepirone.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of serotonin syndrome can be increased when Gepirone 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 Gepirone.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
55191
PubChem Substance
347828470
ChemSpider
49836
BindingDB
50005132
ChEBI
135990
ChEMBL
CHEMBL284092
Wikipedia
Gepirone
ATC Codes
N06AX19 — Gepirone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCocaine-Related 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 Solubility1.09 mg/mLALOGPS
logP2.09ALOGPS
logP1.35ChemAxon
logS-2.5ALOGPS
pKa (Strongest Basic)7.62ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area69.64 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity101.49 m3·mol-1ChemAxon
Polarizability40.93 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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

Taxonomy

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
Piperidinediones / Dialkylarylamines / N-alkylpiperazines / Delta lactams / Aminopyrimidines and derivatives / N-substituted carboxylic acid imides / Heteroaromatic compounds / Dicarboximides / Trialkylamines / Amino acids and derivatives
show 5 more
Substituents
N-arylpiperazine / Piperidinedione / Dialkylarylamine / Aminopyrimidine / Delta-lactam / Piperidinone / N-alkylpiperazine / Pyrimidine / Piperidine / Carboxylic acid imide, n-substituted
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:33 / Updated on October 01, 2018 16:48