Compound Detail

CHEMBL3337849

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CN(C)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3337849
Phase	Preclinical
Structure Type	MOL
InChI Key	SMLSSWCSSCTQSJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

360.3

MW (Da)

3.20

ALogP

HBA

HBD

79.5

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase I isoform delta CHEMBL4484	IC50	7.75	7.06	18.0	3
Casein kinase I isoform epsilon CHEMBL4937	IC50	6.34	6.34	460.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase I isoform delta	IC50	=	18.0	nM	7.75	Inhibition of rat CK1delta by radiometric protein kinase filter binding assay	25191940
Casein kinase I isoform delta	IC50	=	180.0	nM	6.75	Inhibition of rat CK1delta kinetic domain expressed in Escherichia coli using GS...	25191940
Casein kinase I isoform delta	IC50	=	210.0	nM	6.68	Inhibition of GST-tagged rat CK1delta expressed in Escherichia coli using GST-p5...	25191940
Casein kinase I isoform epsilon	IC50	=	460.0	nM	6.34	Inhibition of human recombinant CK1epsilon expressed in Escherichia coli using G...	25191940

PubMed	DOI	Target Context	# Activities
25191940	10.1021/jm500600b	Casein kinase I isoform delta	3
25191940	10.1021/jm500600b	Casein kinase I isoform epsilon	1
25191940	10.1021/jm500600b	Casein kinase I isoform gamma-3	1

Data from ChEMBL 36 via Core Engine