Compound Detail

CHEMBL3771370

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CC(=O)c1cc(-c2ccccc2CO)c2cc(C(N)=O)ccn12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3771370
Phase	Preclinical
Structure Type	MOL
InChI Key	CMVRHYGPXFLFCH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

308.3

MW (Da)

2.40

ALogP

HBA

HBD

84.8

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220	IC50	5.72	5.72	1900.0	2
Bromodomain adjacent to zinc finger domain protein 2A CHEMBL3108642	IC50	5.39	5.39	4100.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bromodomain adjacent to zinc finger domain protein 2B	IC50	=	1900.0	nM	5.72	Inhibition of recombinant His6-TEV fused human BAZ2B expressed in Escherichia co...	25799074
Bromodomain adjacent to zinc finger domain protein 2B	IC50	=	1900.0	nM	5.72	Displacement of biotinylated peptide from recombinant His6-TEV fused human BAZ2B...	25799074
Bromodomain adjacent to zinc finger domain protein 2A	IC50	=	4100.0	nM	5.39	Inhibition of recombinant His6-TEV fused human BAZ2A expressed in Escherichia co...	25799074
Bromodomain adjacent to zinc finger domain protein 2A	IC50	=	4100.0	nM	5.39	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