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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-{6-[3-(morpholin-4-yl)propyl]-2-{thieno[3,2-c]pyridin-6-yl}-4H-chromen-4-ylidene}hydroxylamine
International Nonproprietary Names Click here for help
INN number INN
10686 foliglurax
Synonyms Click here for help
PXT-002331 | PXT002331
Database Links Click here for help
GtoPdb PubChem SID 340590252
Search Google for chemical match using the InChIKey ZTEDNASHAWNBKQ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZTEDNASHAWNBKQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZTEDNASHAWNBKQ-UHFFFAOYSA-N