Compound Detail

CHEMBL1652715

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O=C(O)c1ccc2c(c1)nc(OCCCO)c1ccsc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1652715
Phase	Preclinical
Structure Type	MOL
InChI Key	DSHCNJPTTSGRAX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

303.3

MW (Da)

2.91

ALogP

HBA

HBD

79.7

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 6.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase II CHEMBL2095191	IC50	6.0	6.0	990.0	1
Casein kinase II subunit alpha CHEMBL3629	IC50	6.0	5.9467	995.0	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase II	IC50	=	990.0	nM	6.0	Inhibition of human recombinant CK2 assessed as inhibition of [gamma33P]ATP inco...	21174434
Casein kinase II subunit alpha	IC50	=	995.0	nM	6.0	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	995.0	nM	6.0	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	1200.0	nM	5.92	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	1200.0	nM	5.92	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	1200.0	nM	5.92	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	1200.0	nM	5.92	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-

PubMed	DOI	Target Context	# Activities
21174434	10.1021/jm101251q	Poly [ADP-ribose] polymerase 1	2
21174434	10.1021/jm101251q	Casein kinase II	1

Data from ChEMBL 36 via Core Engine