Ecopipam

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

Identification

Generic Name
Ecopipam
DrugBank Accession Number
DB12273
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 313.83
Monoisotopic: 313.123342
Chemical Formula
C19H20ClNO
Synonyms
  • Ecopipam

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 Ecopipam is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Ecopipam.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Ecopipam.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Ecopipam.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Ecopipam.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Ecopipam Hydrochloride5X1J3190JI190133-94-9APFMVAHRFWBCDG-JUOYHRLASA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1-hydroxy-2-unsubstituted benzenoid / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azepine / Benzazepine / Benzenoid
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0X748O646K
CAS number
112108-01-7
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

References

General References
Not Available
PubChem Compound
107930
PubChem Substance
347828544
ChemSpider
97053
BindingDB
50004823
ChEBI
93645
ChEMBL
CHEMBL298406
ZINC
ZINC000000003897
Wikipedia
Ecopipam

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentGilles de la Tourette's Syndrome1
3RecruitingTreatmentTourette's Disorder (TD)1
3TerminatedTreatmentLesch-Nyhan Syndrome / Self Injurious Behaviour1
2CompletedTreatmentChildhood-Onset Fluency Disorder (Stuttering)1
2CompletedTreatmentGilles de la Tourette's Syndrome1

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/MSsplash10-03di-0009000000-b1a664af8a8ff814d2d4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-21f67224d00f3e3b30ea
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-936b0ad67583e09cce2b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03e9-5009000000-f81828908dd55c8b75b8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0790000000-29b87f03fbbfa808a72e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-36f2eb066d40b1e2e3be
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]-168.66222
predicted
DeepCCS 1.0 (2019)
[M+H]+171.02023
predicted
DeepCCS 1.0 (2019)
[M+Na]+177.36424
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:47 / Updated at February 21, 2021 18:53