Compound Detail

CHEMBL610448

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O=C(O)CSc1nc2c(I)c(I)c(I)c(I)c2[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL610448
Phase	Preclinical
Structure Type	MOL
InChI Key	NQFHSOACYZWLOC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

711.8

MW (Da)

4.16

ALogP

HBA

HBD

66.0

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 7.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	7.27	7.27	54.0	1
Casein kinase II subunit alpha' CHEMBL4070	Ki	7.11	7.04	78.0	2
Casein kinase II subunit alpha CHEMBL3629	Ki	7.1	7.03	80.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	54.0	nM	7.27	Inhibition of rat liver Casein kinase 2	19748274
Casein kinase II subunit alpha'	Ki	=	78.0	nM	7.11	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Casein kinase II subunit alpha	Ki	=	80.0	nM	7.1	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL...	22115617
Casein kinase II subunit alpha'	Ki	=	106.0	nM	6.97	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Casein kinase II subunit alpha	Ki	=	110.0	nM	6.96	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