Compound Detail

CHEMBL3932965

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Cc1cc(C(N)=O)c2[nH]c3cc(C(C)(C)O)ccc3c2c1-c1cccc(-n2c(=O)cc3c(Cl)cccn3c2=O)c1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3932965
Phase	Preclinical
Structure Type	MOL
InChI Key	BIXZQQNECLOHBK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

567.0

MW (Da)

5.35

ALogP

HBA

HBD

122.6

PSA (Å²)

0.27

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 9.39

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase BTK CHEMBL5251	IC50	9.39	9.39	0.4	4
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	6.1	6.1	800.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase BTK	IC50	=	0.41	nM	9.39	Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r...	-
Tyrosine-protein kinase BTK	IC50	=	0.41	nM	9.39	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase BTK	IC50	=	0.41	nM	9.39	Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom...	-
Tyrosine-protein kinase BTK	IC50	=	0.41	nM	9.39	Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ...	-
Tyrosine-protein kinase JAK2	IC50	=	800.0	nM	6.1	Jak2 Tyrosine Kinase Assay: The assays were performed in V-bottom 384-well plate...	-
Tyrosine-protein kinase JAK2	IC50	=	800.0	nM	6.1	Jak2 Tyrosine Kinase Assay: Compounds with activity against Jak2 tyrosine kinase...	-
Tyrosine-protein kinase JAK2	IC50	=	800.0	nM	6.1	Tyrosine Kinase Assay: The assays were performed in V-bottom 384-well plates. Th...	-
Tyrosine-protein kinase JAK2	IC50	=	800.0	nM	6.1	Jak2 Tyrosine Kinase Assay: Compounds with activity against Jak2 tyrosine kinase...	-

Data from ChEMBL 36 via Core Engine