EPZ011989

Ligand id: 9273

Name: EPZ011989

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 86.38
Molecular weight 605.39
XLogP 4.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide
Database Links
CAS Registry No. 1598383-40-4 (source: PubChem)
GtoPdb PubChem SID 315661348
PubChem CID 73670548
Search Google for chemical match using the InChIKey XQFINGFCBFHOPE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XQFINGFCBFHOPE
Search UniChem for chemical match using the InChIKey XQFINGFCBFHOPE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XQFINGFCBFHOPE
Comments
EPZ011989 is a 3nM selective, orally bioavailable inhibitor of EZH2 with tumor growth inhibition in a mouse xenograft model of human B cell lymphoma [1]. It has a Probe Portal entry SGC EPZ011989.