foliglurax   Click here for help

GtoPdb Ligand ID: 9622

Synonyms: PXT-002331 | PXT002331
Compound class: Synthetic organic
Comment: Prexton Therapeutics is developing foliglurax (PXT002331), as an orally active metabotropic glutamate receptor 4 (mGluR4) positive allosteric modulator (PAM), for symptomatic relief in Parkinson's disease, as an alternative to dopamine replacement therapies. Listings on ClinicalTrials.gov associate the research code PXT002331 to the INN foliglurax. To generate the structure we used the IUPAC name submitted to the WHO for the INN foliglurax to generate SMILES using Chemicalize.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 99.33
Molecular weight 421.15
XLogP 4.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ON=c1cc(oc2c1cc(CCCN1CCOCC1)cc2)c1ncc2c(c1)scc2
Isomeric SMILES ON=c1cc(oc2c1cc(CCCN1CCOCC1)cc2)c1ncc2c(c1)scc2
InChI InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2
InChI Key ZTEDNASHAWNBKQ-UHFFFAOYSA-N
References
1. Charvin D, Conquet F. (2017)
Brain-penetrant chromone oxime derivative for the therapy of levodopa-induced dyskinesia.
Patent number: WO2017032874. Assignee: Prexton Therapeutics Sa. Priority date: 27/08/2015. Publication date: 02/03/2017.
2. Iderberg H, Maslava N, Thompson AD, Bubser M, Niswender CM, Hopkins CR, Lindsley CW, Conn PJ, Jones CK, Cenci MA. (2015)
Pharmacological stimulation of metabotropic glutamate receptor type 4 in a rat model of Parkinson's disease and L-DOPA-induced dyskinesia: Comparison between a positive allosteric modulator and an orthosteric agonist.
Neuropharmacology, 95: 121-9. [PMID:25749357]
3. Marino MJ, Williams Jr DL, O'Brien JA, Valenti O, McDonald TP, Clements MK, Wang R, DiLella AG, Hess JF, Kinney GG et al.. (2003)
Allosteric modulation of group III metabotropic glutamate receptor 4: a potential approach to Parkinson's disease treatment.
Proc Natl Acad Sci USA, 100 (23): 13668-73. [PMID:14593202]