MS049   Click here for help

GtoPdb Ligand ID: 9529

Synonyms: compound 17 [PMID: 27584694]
Compound class: Synthetic organic
Comment: 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.
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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 6
Topological polar surface area 24.5
Molecular weight 248.19
XLogP 1.74
No. Lipinski's rules broken 0
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Canonical SMILES CNCCN1CCC(CC1)OCc1ccccc1
Isomeric SMILES CNCCN1CCC(CC1)OCc1ccccc1
InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
1. SGC. 
MS049 A chemical probe for PRMT4 and PRMT6.
Accessed on 05/04/2017. Modified on 04/08/2023.,
2. Shen Y, Szewczyk MM, Eram MS, Smil D, Kaniskan HÜ, Ferreira de Freitas R, Senisterra G, Li F, Schapira M, Brown PJ et al.. (2016)
Discovery of a Potent, Selective, and Cell-Active Dual Inhibitor of Protein Arginine Methyltransferase 4 and Protein Arginine Methyltransferase 6.
J Med Chem, 59 (19): 9124-9139. [PMID:27584694]