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
Structure for Mavoglurant (DB13004)
- Weight
- Average: 313.397
Monoisotopic: 313.167793605 - Chemical Formula
- C19H23NO3
- Synonyms
- Mavoglurant
- External IDs
- AFQ-056
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- 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
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Fragile X Syndrome (FXS) 1 2 Completed Treatment Anti-Dyskinesia Agents / Dyskinesia / Movement Disorders / Parkinson's Disease (PD) / Parkinsonian Disorders 2 2 Completed Treatment Cocaine Related Disorders 1 2 Completed Treatment Dyskinesia, Drug-Induced / Levodopa / Parkinson's Disease (PD) 1 2 Completed Treatment Dyskinesia / Movement Disorders / Parkinson's Disease (PD) / Parkinsonian Disorders 1 2 Completed Treatment Dyskinesia / Parkinson's Disease (PD) 1 2 Completed Treatment Fragile X Syndrome (FXS) 2 2 Completed Treatment L-dopa Induced Dyskinesia / Parkinson's Disease (PD) 1 2 Completed Treatment Parkinson's Disease (PD) 2 2 Terminated Treatment Chorea / 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
Property Value Source Water Solubility 0.0246 mg/mL ALOGPS logP 2.53 ALOGPS logP 3.02 ChemAxon logS -4.1 ALOGPS pKa (Strongest Acidic) 12.87 ChemAxon pKa (Strongest Basic) -3.7 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 49.77 Å2 ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 86.38 m3·mol-1 ChemAxon Polarizability 35.7 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 02:00 / Updated at February 21, 2021 18:54