ML337

Ligand id: 8765

Name: ML337

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 49.77
Molecular weight 353.14
XLogP 4.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
Synonyms
ML 337 | ML-337
Database Links
CAS Registry No. 1443118-44-2 (source: PubChem)
ChEMBL Ligand CHEMBL2385886
PubChem CID 60204017
Search Google for chemical match using the InChIKey QBCRLDPMQHPGIM-QGZVFWFLSA-N
Search Google for chemicals with the same backbone QBCRLDPMQHPGIM
Search UniChem for chemical match using the InChIKey QBCRLDPMQHPGIM-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone QBCRLDPMQHPGIM
Comments
ML337 is reported as a selective, brain penetrant, negative allosteric modulator of the metabotropic glutamate receptor mGlu3 [1].