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

Identification

Generic Name
Mavoglurant
DrugBank Accession Number
DB13004
Background

Mavoglurant has been used in trials studying the treatment of Patient Diagnosed With OCD and and Resistant to SSRI Treatment (Failed SSRI Over 12 Weeks at Appropriate Doses).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 313.397
Monoisotopic: 313.167793605
Chemical Formula
C19H23NO3
Synonyms
  • Mavoglurant
External IDs
  • AFQ-056

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
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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 indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Not Available
Direct Parent
Indoles and derivatives
Alternative Parents
Pyrrolidine carboxylic acids / Toluenes / Ynones / Tertiary alcohols / Methylcarbamates / Organic carbonic acids and derivatives / Cyclic alcohols and derivatives / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds
show 2 more
Substituents
Alcohol / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Cyclic alcohol / Hydrocarbon derivative / Indole or derivatives
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
GT0I9SV4F6
CAS number
543906-09-8
InChI Key
ZFPZEYHRWGMJCV-ZHALLVOQSA-N
InChI
InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
IUPAC Name
methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-octahydro-1H-indole-1-carboxylate
SMILES
COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#CC1=CC(C)=CC=C1

References

General References
Not Available
PubChem Compound
9926832
PubChem Substance
347829141
ChemSpider
8102466
BindingDB
50443085
ChEMBL
CHEMBL3087515
ZINC
ZINC000003817189
PDBe Ligand
2U8
Wikipedia
Mavoglurant
PDB Entries
4oo9

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentFragile X Syndrome (FXS)1
2CompletedTreatmentAnti-Dyskinesia Agents / Dyskinesia / Movement Disorders / Parkinson's Disease (PD) / Parkinsonian Disorders2
2CompletedTreatmentCocaine Related Disorders1
2CompletedTreatmentDyskinesia, Drug-Induced / Levodopa / Parkinson's Disease (PD)1
2CompletedTreatmentDyskinesia / Movement Disorders / Parkinson's Disease (PD) / Parkinsonian Disorders1
2CompletedTreatmentDyskinesia / Parkinson's Disease (PD)1
2CompletedTreatmentFragile X Syndrome (FXS)2
2CompletedTreatmentL-dopa Induced Dyskinesia / Parkinson's Disease (PD)1
2CompletedTreatmentParkinson's Disease (PD)2
2TerminatedTreatmentChorea / Huntington's Disease (HD)1

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 Solubility0.0246 mg/mLALOGPS
logP2.53ALOGPS
logP3.02ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)12.87ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area49.77 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity86.38 m3·mol-1ChemAxon
Polarizability35.7 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
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 02:00 / Updated at February 21, 2021 18:54