Ecopipam

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

Identification

Name
Ecopipam
Accession Number
DB12273
Type
Small Molecule
Groups
Investigational
Description

Ecopipam has been used in trials studying the treatment of Tourette's Syndrome, Lesch-Nyhan Disease, Pathological Gambling, and Self-injurious Behavior.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Ecopipam Hydrochloride5X1J3190JI190133-94-9APFMVAHRFWBCDG-JUOYHRLASA-N
Categories
UNII
0X748O646K
CAS number
112108-01-7
Weight
Average: 313.83
Monoisotopic: 313.123342
Chemical Formula
C19H20ClNO
InChI Key
DMJWENQHWZZWDF-PKOBYXMFSA-N
InChI
InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
IUPAC Name
(1R,11S)-5-chloro-10-methyl-10-azatetracyclo[9.8.0.0²,⁷.0¹⁴,¹⁹]nonadeca-2,4,6,14,16,18-hexaen-4-ol
SMILES
[H][C@]12CCC3=CC=CC=C3[C@]1([H])C1=CC(O)=C(Cl)C=C1CCN2C

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
2,5-Dimethoxy-4-ethylamphetamineEcopipam may decrease the stimulatory activities of 2,5-Dimethoxy-4-ethylamphetamine.
2,5-Dimethoxy-4-ethylthioamphetamineEcopipam may decrease the stimulatory activities of 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-MethylenedioxyamphetamineEcopipam may decrease the stimulatory activities of 3,4-Methylenedioxyamphetamine.
4-Bromo-2,5-dimethoxyamphetamineEcopipam may decrease the stimulatory activities of 4-Bromo-2,5-dimethoxyamphetamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Ecopipam.
AcepromazineThe risk or severity of adverse effects can be increased when Acepromazine is combined with Ecopipam.
AceprometazineThe risk or severity of adverse effects can be increased when Aceprometazine is combined with Ecopipam.
AdipiplonThe risk or severity of adverse effects can be increased when Adipiplon is combined with Ecopipam.
AgomelatineThe risk or severity of adverse effects can be increased when Agomelatine is combined with Ecopipam.
AlaproclateThe risk or severity of adverse effects can be increased when Ecopipam is combined with Alaproclate.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
107930
PubChem Substance
347828544
ChemSpider
97053
BindingDB
50004823
ChEBI
93645
ChEMBL
CHEMBL298406
Wikipedia
Ecopipam

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentLesch-Nyhan Disease1
1, 2Active Not RecruitingTreatmentAugmentation / Restless Legs Syndrome (RLS)1
1, 2CompletedTreatmentGilles de la Tourette's Syndrome1
2Active Not RecruitingTreatmentGilles de la Tourette's Syndrome1
2CompletedTreatmentPathological Gambling1
2, 3RecruitingTreatmentChildhood-Onset Fluency Disorder / Communication Disorders / Language Disorders / Speech Disorders / Stuttering, Adult1
3TerminatedTreatmentLesch-Nyhan Disease / Self-Injurious Behavior1

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 Solubility0.0236 mg/mLALOGPS
logP4.28ALOGPS
logP4.07ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)7.5ChemAxon
pKa (Strongest Basic)8.52ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area23.47 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity91.6 m3·mol-1ChemAxon
Polarizability34.7 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzazepines
Sub Class
Not Available
Direct Parent
Benzazepines
Alternative Parents
Tetralins / Azepines / Aralkylamines / 1-hydroxy-2-unsubstituted benzenoids / Aryl chlorides / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organochlorides
show 1 more
Substituents
Benzazepine / Tetralin / 1-hydroxy-2-unsubstituted benzenoid / Azepine / Aralkylamine / Aryl chloride / Aryl halide / Benzenoid / Tertiary amine / Tertiary aliphatic amine
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:47 / Updated on August 02, 2018 06:36