Compound Detail

CHEMBL3984475

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Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3984475
Phase	Preclinical
Structure Type	MOL
InChI Key	WQLRVJLVBJTPDC-INIZCTEOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

575.0

MW (Da)

4.67

ALogP

HBA

HBD

122.6

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 9.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase BTK CHEMBL5251	IC50	9.47	9.405	0.3	8

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase BTK	IC50	=	0.34	nM	9.47	Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r...	-
Tyrosine-protein kinase BTK	IC50	=	0.34	nM	9.47	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.34	nM	9.47	Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom...	-
Tyrosine-protein kinase BTK	IC50	=	0.34	nM	9.47	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.46	nM	9.34	Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r...	-
Tyrosine-protein kinase BTK	IC50	=	0.46	nM	9.34	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.46	nM	9.34	Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom...	-
Tyrosine-protein kinase BTK	IC50	=	0.46	nM	9.34	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-

Data from ChEMBL 36 via Core Engine