Compound Detail

CHEMBL5847252

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CC#CC(=O)N1CCCC2CN(c3c(F)cc(C(N)=O)c4[nH]c5ccccc5c34)CC21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5847252
Phase	Preclinical
Structure Type	MOL
InChI Key	CZRZRSZLOXGJNF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

418.5

MW (Da)

3.01

ALogP

HBA

HBD

82.4

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 8 meas. best 10.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase BTK CHEMBL5251	IC50	10.0	9.715	0.1	8

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase BTK	IC50	=	0.1	nM	10.0	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.1	nM	10.0	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.1	nM	10.0	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.2	nM	9.7	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.2	nM	9.7	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.3	nM	9.52	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.4	nM	9.4	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.4	nM	9.4	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-

Data from ChEMBL 36 via Core Engine