EPZ005687   

GtoPdb Ligand ID: 8387

Synonyms: EPZ 005687 | EPZ-005687
Compound class: Synthetic organic
Comment: EPZ005687 is an inhibitor of the histone methyltransferase, enhancer of zeste 2 polycomb repressive complex 2 subunit (EZH2) [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 92.25
Molecular weight 539.29
XLogP 5.59
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1cc(cc2c1cnn2C1CCCC1)c1ccc(cc1)CN1CCOCC1)NCc1c(C)cc([nH]c1=O)C
Isomeric SMILES O=C(c1cc(cc2c1cnn2C1CCCC1)c1ccc(cc1)CN1CCOCC1)NCc1c(C)cc([nH]c1=O)C
InChI InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)
InChI Key ZOIBZSZLMJDVDQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
Synonyms
EPZ 005687 | EPZ-005687
Database Links
CAS Registry No. 1396772-26-1
GtoPdb PubChem SID 252166598
PubChem CID 60160561
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