Compound Detail

CHEMBL3770449

Enter ChEMBL ID:

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

CC(=O)c1cc(-c2ccccc2CO)c2cc(N3CCOCC3)ccn12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3770449
Phase	Preclinical
Structure Type	MOL
InChI Key	UMHBIHQZTUMFNE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

350.4

MW (Da)

3.14

ALogP

HBA

HBD

54.2

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220	IC50	6.27	6.27	540.0	2
Bromodomain adjacent to zinc finger domain protein 2A CHEMBL3108642	IC50	5.77	5.77	1700.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bromodomain adjacent to zinc finger domain protein 2B	IC50	=	540.0	nM	6.27	Inhibition of recombinant His6-TEV fused human BAZ2B expressed in Escherichia co...	25799074
Bromodomain adjacent to zinc finger domain protein 2B	IC50	=	540.0	nM	6.27	Displacement of biotinylated peptide from recombinant His6-TEV fused human BAZ2B...	25799074
Bromodomain adjacent to zinc finger domain protein 2A	IC50	=	1700.0	nM	5.77	Inhibition of recombinant His6-TEV fused human BAZ2A expressed in Escherichia co...	25799074
Bromodomain adjacent to zinc finger domain protein 2A	IC50	=	1700.0	nM	5.77	Displacement of biotinylated peptide from recombinant His6-TEV fused human BAZ2A...	25799074

PubMed	DOI	Target Context	# Activities
25799074	10.1021/acs.jmedchem.5b00209	Bromodomain adjacent to zinc finger domain protein 2A	2
25799074	10.1021/acs.jmedchem.5b00209	Bromodomain adjacent to zinc finger domain protein 2B	2

Data from ChEMBL 36 via Core Engine