Compound Detail

CHEMBL3769588

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COc1ccc(-c2cc(C(C)=O)n3ccccc23)c(CO)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3769588
Phase	Preclinical
Structure Type	MOL
InChI Key	UBXKVSHZPDOJKM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

295.3

MW (Da)

3.31

ALogP

HBA

HBD

50.9

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bromodomain adjacent to zinc finger domain protein 2A CHEMBL3108642	IC50	5.85	5.85	1400.0	2
Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220	IC50	5.82	5.82	1500.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bromodomain adjacent to zinc finger domain protein 2A	IC50	=	1400.0	nM	5.85	Inhibition of recombinant His6-TEV fused human BAZ2A expressed in Escherichia co...	25799074
Bromodomain adjacent to zinc finger domain protein 2A	IC50	=	1400.0	nM	5.85	Displacement of biotinylated peptide from recombinant His6-TEV fused human BAZ2A...	25799074
Bromodomain adjacent to zinc finger domain protein 2B	IC50	=	1500.0	nM	5.82	Inhibition of recombinant His6-TEV fused human BAZ2B expressed in Escherichia co...	25799074
Bromodomain adjacent to zinc finger domain protein 2B	IC50	=	1500.0	nM	5.82	Displacement of biotinylated peptide from recombinant His6-TEV fused human BAZ2B...	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