PXT002331

Ligand id: 9622

Name: PXT002331

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 95.42
Molecular weight 421.15
XLogP 3.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{6-[3-(morpholin-4-yl)propyl]-2-{thieno[3,2-c]pyridin-6-yl}-4H-chromen-4-ylidene}hydroxylamine
Synonyms
DT1687 | foliglurax (proposed INN) | PXT-002331
Database Links
Search Google for chemical match using the InChIKey ZTEDNASHAWNBKQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZTEDNASHAWNBKQ
Search UniChem for chemical match using the InChIKey ZTEDNASHAWNBKQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZTEDNASHAWNBKQ
Comments
Prexton Therapeutics is developing PXT002331 (a compound originally identified by Merck), 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 proposed INN foliglurax. To generate the structure we used the IUPAC name submitted to the WHO for the INN foliglurax to generate SMILES using Chemicalize.