CPI-1205

Ligand id: 9115

Name: CPI-1205

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 75.6
Molecular weight 518.25
XLogP 5.52
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Albrecht BK, Audia JE, Cook A, Cote A, Dakin LA, Gehling VS, Harmange J-C, Nasvenschuk CG, Vaswani RG. (2014)
Modulators of methyl modifying enzymes, compositions and uses thereof.
Patent number: WO2014151142 A1. Assignee: Constellation Pharmaceuticals, Inc.. Priority date: 15/03/2013. Publication date: 25/09/2014.
2. Albrecht BK, Audia JE, Gagnon A, Harmange J-C, Nasveschuk CG. (2012)
Modulators of methyl modifying enzymes, compositions and uses thereof.
Patent number: WO2012068589 A2. Assignee: Constellation Pharmaceuticals. Priority date: 19/11/2010. Publication date: 24/05/2012.
3. Garapaty-Rao S, Nasveschuk C, Gagnon A, Chan EY, Sandy P, Busby J, Balasubramanian S, Campbell R, Zhao F, Bergeron L et al.. (2013)
Identification of EZH2 and EZH1 small molecule inhibitors with selective impact on diffuse large B cell lymphoma cell growth.
Chem. Biol.20 (11): 1329-39. [PMID:24183969]
4. Vaswani RG, Gehling VS, Dakin LA, Cook AS, Nasveschuk CG, Duplessis M, Iyer P, Balasubramanian S, Zhao F, Good AC et al.. (2016)
Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem.,  [Epub ahead of print]. [PMID:27739677]