Compound Detail

CHEMBL3770184

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CCc1cc(C)c(CNC(=O)c2cc(Cl)cc(N(CC)C3CCOCC3)c2C)c(=O)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3770184
Phase	Preclinical
Structure Type	MOL
InChI Key	ABZBXKKJNGRZPO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

446.0

MW (Da)

4.14

ALogP

HBA

HBD

74.4

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histone-lysine N-methyltransferase EZH2 CHEMBL2189110	IC50	8.66	8.008	2.2	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histone-lysine N-methyltransferase EZH2	IC50	=	2.2	nM	8.66	Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po...	-
Histone-lysine N-methyltransferase EZH2	IC50	=	5.1	nM	8.29	Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po...	-
Histone-lysine N-methyltransferase EZH2	IC50	=	18.2	nM	7.74	Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po...	-
Histone-lysine N-methyltransferase EZH2	IC50	=	20.0	nM	7.7	Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleo...	26769278
Histone-lysine N-methyltransferase EZH2	IC50	=	22.3	nM	7.65	Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po...	-

PubMed	DOI	Target Context	# Activities
26769278	10.1021/acs.jmedchem.5b01501	Histone-lysine N-methyltransferase EZH2	1

Data from ChEMBL 36 via Core Engine