General
Preferred name
MAVOGLURANT
Synonyms
AFQ-056 racemate ()
AFQ056 ()
Mavoglurant (racemate) ()
AFQ-056 (racemate) ()
AFQ-056 ()
P&D ID
PD048609
CAS
543906-09-8
1636881-61-2
Tags
available
drug candidate
Drug indication
Fragile X syndrome
obsessive-compulsive disorder
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Mavoglurant (AFQ056) is a potent, selective, non-competitive and orally active mGluR5 antagonist, with an IC50 of 30 nM. Mavoglurant shows a >300 fold selectivity for the mGluR5 over all targets (238) tested. Mavoglurant can be used for the research of Fragile X syndrome (FXS), and L-dopa induced dyskinesias in Parkinson's disease[1][1][2]. Mavoglurant is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
DESCRIPTION Mavoglurant racemate (AFQ-056 racemate) is the racemate of Mavoglurant. Mavoglurant is a novel, non-competitive mGlu5 receptor antagonist[1]. Mavoglurant (racemate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Compound Sets
10
ChEMBL Drugs
CHEMBL3087515
Drug Repurposing Hub
DrugBank
DB13004
DrugMAP
DMMHSLC
Guide to Pharmacology
7586
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL3087515
Mcule NIBR MoA Box Subset
MCULE-4812601187
MedChem Express Bioactive Compound Library
HY-15257
HY-15257A
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
313.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
1
cLogP
2.72
TPSA
49.77
Fraction CSP3
0.53
Chiral centers
3.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
virtual
MOA
mgluR5 Antagonists
glutamate receptor antagonist
Target
GRM5
mGluR
Pathway
GPCR/G protein
Neuronal Signaling
Source data