Compound Detail

CHEMBL5862023

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C=CC(=O)N1CCC2CN(c3c(F)cc(C(N)=O)c4[nH]c5ccccc5c34)CC21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5862023
Phase	Preclinical
Structure Type	MOL
InChI Key	MDORVNBMVCGCQQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

392.4

MW (Da)

2.78

ALogP

HBA

HBD

82.4

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 10.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase BTK CHEMBL5251	IC50	10.15	9.7429	0.1	7

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase BTK	IC50	=	0.07	nM	10.15	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.07	nM	10.15	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	=	0.2	nM	9.7	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