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

Classification
Compound class Synthetic organic
IUPAC Name
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
Synonyms
compound 13 [PMID: 27739677] | CPI 1205 | CPI1205
Database Links
GtoPdb PubChem SID 315661200
PubChem CID 78320408
Search Google for chemical match using the InChIKey HPODOLXTMDHLLC-QGZVFWFLSA-N
Search Google for chemicals with the same backbone HPODOLXTMDHLLC
Search UniChem for chemical match using the InChIKey HPODOLXTMDHLLC-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone HPODOLXTMDHLLC
Comments
CPI-1205 is an orally available selective inhibitor of the histone lysine methyltransferase EZH2, with potential antineoplastic activity [4]. The developer is Constellation Pharmaceuticals whose patents WO2012068589 [2] and more recently, WO2014151142A1 [1], claim many compounds for their potential to modulate methylation modifying enzymes. WO2014151142A1 specifically claims inhibition of EZH2, with in vitro IC50 values vs. EZH2 for compounds 100-145 presented in Table 2. See also Garapaty-Ra et al. (2013) [3] for further examples of EZH2/EZH1 inhibitors developed by Constellation Pharmaceuticals.