Compound Detail

CHEMBL375230

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CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL375230
Phase	Preclinical
Structure Type	MOL
InChI Key	WFQHVWNFYYLZHM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

490.8

MW (Da)

4.69

ALogP

HBA

HBD

21.1

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 7.46

IC50 1 meas. best 6.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase II subunit alpha' CHEMBL4070	Ki	7.46	7.21	35.0	2
Casein kinase II CHEMBL2095191	IC50	6.89	6.89	130.0	1
Casein kinase II subunit alpha CHEMBL3629	Ki	6.81	6.74	154.0	2
Casein kinase II CHEMBL2095191	Ki	6.7	6.7	200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase II subunit alpha'	Ki	=	35.0	nM	7.46	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Casein kinase II subunit alpha'	Ki	=	109.0	nM	6.96	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Casein kinase II	IC50	=	130.0	nM	6.89	Inhibition of CK2	15566294
Casein kinase II subunit alpha	Ki	=	154.0	nM	6.81	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL...	22115617
Casein kinase II	Ki	=	200.0	nM	6.7	Inhibition of CK2	15566294
Casein kinase II subunit alpha	Ki	=	212.0	nM	6.67	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE...	22115617

PubMed	DOI	Target Context	# Activities
15566294	10.1021/jm049854a	Casein kinase II	2
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