Compound Detail

CHEMBL1928906

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Cn1c(SCCC(=O)O)nc2c(Br)c(Br)c(Br)c(Br)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1928906
Phase	Preclinical
Structure Type	MOL
InChI Key	LBSTUABAERLLQZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

551.9

MW (Da)

5.19

ALogP

HBA

HBD

55.1

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.26

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase II subunit alpha' CHEMBL4070	Ki	7.26	7.13	55.0	2
Casein kinase II subunit alpha CHEMBL3629	Ki	6.95	6.905	112.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase II subunit alpha'	Ki	=	55.0	nM	7.26	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Casein kinase II subunit alpha'	Ki	=	100.0	nM	7.0	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Casein kinase II subunit alpha	Ki	=	112.0	nM	6.95	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE...	22115617
Casein kinase II subunit alpha	Ki	=	137.0	nM	6.86	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL...	22115617

PubMed	DOI	Target Context	# Activities
22115617	10.1016/j.ejmech.2011.11.002	Casein kinase II subunit alpha	2
22115617	10.1016/j.ejmech.2011.11.002	Casein kinase II subunit alpha'	2
22115617	10.1016/j.ejmech.2011.11.002	Unchecked	1

Data from ChEMBL 36 via Core Engine