Compound Detail

CHEMBL1928905

Enter ChEMBL ID:

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

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1928905
Phase	Preclinical
Structure Type	MOL
InChI Key	IKMFLHAJWDFWJQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

537.9

MW (Da)

4.80

ALogP

HBA

HBD

55.1

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase II subunit alpha CHEMBL3629	Ki	7.89	7.365	13.0	2
Casein kinase II subunit alpha' CHEMBL4070	Ki	7.62	7.16	24.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase II subunit alpha	Ki	=	13.0	nM	7.89	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL...	22115617
Casein kinase II subunit alpha'	Ki	=	24.0	nM	7.62	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	22115617
Casein kinase II subunit alpha	Ki	=	143.0	nM	6.84	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE...	22115617
Casein kinase II subunit alpha'	Ki	=	200.0	nM	6.7	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B...	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