Compound Detail

CHEMBL3700384

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O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccsc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3700384
Phase	Preclinical
Structure Type	MOL
InChI Key	ZJWIJPRRJBELMF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

320.4

MW (Da)

4.89

ALogP

HBA

HBD

62.2

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 7.04

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase II subunit alpha CHEMBL3629	IC50	7.04	6.2125	92.0	8

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase II subunit alpha	IC50	=	92.0	nM	7.04	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	92.0	nM	7.04	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	310.0	nM	6.51	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	310.0	nM	6.51	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	320.0	nM	6.5	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	320.0	nM	6.5	In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol...	-
Casein kinase II subunit alpha	IC50	=	15700.0	nM	4.8	Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta...	-
Casein kinase II subunit alpha	IC50	=	15700.0	nM	4.8	Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta...	-

Data from ChEMBL 36 via Core Engine