Compound Detail

CHEMBL4237999

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C=CS(=O)(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4237999
Phase	Preclinical
Structure Type	MOL
InChI Key	RCPFXJSYEQFUSS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

383.5

MW (Da)

3.46

ALogP

HBA

HBD

96.3

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 10.17

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase BTK CHEMBL5251	IC50	10.17	9.6617	0.1	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase BTK	IC50	=	0.068	nM	10.17	Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain ex...	30097367
Tyrosine-protein kinase BTK	IC50	=	0.07	nM	10.15	Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r...	-
Tyrosine-protein kinase BTK	IC50	=	0.07	nM	10.15	Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom...	-
Tyrosine-protein kinase BTK	IC50	=	0.07	nM	10.15	Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom...	-
Tyrosine-protein kinase BTK	IC50	=	0.07	nM	10.15	Biological Assay: To V-bottom 384-well plates were added test compounds, human r...	-
Tyrosine-protein kinase BTK	IC50	=	63.0	nM	7.2	Inhibition of BTK in human Ramos cells assessed as reduction in intracellular ca...	30097367

PubMed	DOI	Target Context	# Activities
30097367	10.1016/j.bmcl.2018.07.041	Tyrosine-protein kinase BTK	2

Data from ChEMBL 36 via Core Engine