Compound Detail

CHEMBL593153

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(O)Cn1cnc2c(I)c(I)c(I)c(I)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL593153
Phase	Preclinical
Structure Type	MOL
InChI Key	SMEROVWVAAPMQO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

679.8

MW (Da)

3.54

ALogP

HBA

HBD

55.1

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 7.21

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase II subunit alpha' CHEMBL4070	Ki	7.21	6.85	62.0	2
Unchecked CHEMBL612545	Ki	6.85	6.85	140.0	1
Casein kinase II subunit alpha CHEMBL3629	Ki	6.58	6.5	261.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase II subunit alpha'	Ki	=	62.0	nM	7.21	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Unchecked	Ki	=	140.0	nM	6.85	Inhibition of rat liver Casein kinase 2	19748274
Casein kinase II subunit alpha	Ki	=	261.0	nM	6.58	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL...	22115617
Casein kinase II subunit alpha'	Ki	=	324.0	nM	6.49	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Casein kinase II subunit alpha	Ki	=	378.0	nM	6.42	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE...	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
19748274	10.1016/j.bmc.2009.08.047	Unchecked	1
22115617	10.1016/j.ejmech.2011.11.002	Unchecked	1

Data from ChEMBL 36 via Core Engine