Structure

InChI Key UQRICAQPWZSJNF-UHFFFAOYSA-N
Smiles Br.CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChI
InChI=1S/C34H44N4O4.BrH/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40;/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H45BrN4O4
Molecular Weight 653.66
AlogP 4.73
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 86.9
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Mechanism of Action Action Reference
Histone-lysine N-methyltransferase EZH2 inhibitor INHIBITOR FDA

Target Conservation

Protein: Histone-lysine N-methyltransferase EZH2

Description: Histone-lysine N-methyltransferase EZH2

Organism : Homo sapiens

Q15910 ENSG00000106462

Cross References

Resources Reference
ChEMBL CHEMBL4594260
FDA SRS 6P89T5M073
PubChem 71761627
SureChEMBL SCHEMBL15313373