MS049

Ligand id: 9529

Name: MS049

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 24.5
Molecular weight 248.19
XLogP 2.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine
Synonyms
compound 17 [PMID: 27584694]
Database Links
PubChem CID 53868701
Search Google for chemical match using the InChIKey HBOJWAYLSJLULG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HBOJWAYLSJLULG
Search UniChem for chemical match using the InChIKey HBOJWAYLSJLULG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HBOJWAYLSJLULG
Comments
MS049 is a potent and selective dual inhibitor of PRMT4 and PRMT6 [1-2], developed in a collaboration between the Structural Genomics Consortium and the Icahn School of Medicine at Mount Sinai. It is active in cellular assays. It is one of the chemical tools in the SGC's Epigenetic Probes Collection.