Compound Detail

CHEMBL1652716

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1652716
Phase	Preclinical
Structure Type	MOL
InChI Key	WNDNHVKGAOSTKP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

302.4

MW (Da)

2.94

ALogP

HBA

HBD

82.5

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 6.17

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase II subunit alpha CHEMBL3629	IC50	6.17	6.1567	670.0	6
Casein kinase II CHEMBL2095191	IC50	6.12	6.12	750.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase II subunit alpha	IC50	=	670.0	nM	6.17	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	670.0	nM	6.17	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	670.0	nM	6.17	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	670.0	nM	6.17	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	748.0	nM	6.13	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	748.0	nM	6.13	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II	IC50	=	750.0	nM	6.12	Inhibition of human recombinant CK2 assessed as inhibition of [gamma33P]ATP inco...	21174434

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