Compound Detail

CHEMBL4097892

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cccc(C[C@H]2C[C@H]3Cc4c(cccc4OC)C[C@@H]3N(C)C2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4097892
Phase	Preclinical
Structure Type	MOL
InChI Key	QZUPQRHYHMMHGC-JLMWRMLUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

351.5

MW (Da)

3.98

ALogP

HBA

HBD

21.7

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Polycomb protein EED CHEMBL2189117	IC50	6.05	5.9	890.0	3
Unchecked CHEMBL612545	IC50	5.6	5.6	2500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Polycomb protein EED	IC50	=	890.0	nM	6.05	Binding affinity to his tagged EED (1 to 441 residues) (unknown origin) incubate...	34351144
Polycomb protein EED	IC50	=	890.0	nM	6.05	Binding affinity to his tagged EED (1 to 441 residues) (unknown origin) incubate...	35224495
Polycomb protein EED	IC50	=	2500.0	nM	5.6	Inhibition of human PRC2-EED (76 to 441 residues) expressed in Escherichia coli ...	27992714
Unchecked	IC50	=	2500.0	nM	5.6	Inhibition of PRC2 (unknown origin) using H3K27me0 as peptide substrate by LC-MS...	34351144

PubMed	DOI	Target Context	# Activities
27992714	10.1021/acs.jmedchem.6b01473	Polycomb protein EED	1
34351144	10.1021/acs.jmedchem.1c00226	Polycomb protein EED	1
34351144	10.1021/acs.jmedchem.1c00226	Unchecked	1
35224495	10.1039/d1md00274k	Polycomb protein EED	1

Data from ChEMBL 36 via Core Engine