Compound Detail

CHEMBL1928903

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O=C(O)CCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1928903
Phase	Preclinical
Structure Type	MOL
InChI Key	ZVWIIJLMUDGTPU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

537.9

MW (Da)

5.18

ALogP

HBA

HBD

66.0

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase II subunit alpha' CHEMBL4070	Ki	7.51	7.485	31.0	2
Casein kinase II subunit alpha CHEMBL3629	Ki	6.94	6.85	116.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase II subunit alpha'	Ki	=	31.0	nM	7.51	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
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	=	116.0	nM	6.94	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE...	22115617
Casein kinase II subunit alpha	Ki	=	172.0	nM	6.76	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