Compound Detail

CHEMBL4573218

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C=CC(=O)Nc1cccc(CNc2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4573218
Phase	Preclinical
Structure Type	MOL
InChI Key	BFVJWOMAZHKZRD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

430.5

MW (Da)

3.79

ALogP

HBA

HBD

91.4

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.62

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase JAK3 CHEMBL2148	IC50	8.62	8.62	2.4	1
T-cell CHEMBL614309	IC50	7.82	7.82	15.0	1
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	5.96	5.96	1096.0	1
Tyrosine-protein kinase JAK1 CHEMBL2835	IC50	5.89	5.89	1286.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase JAK3	IC50	=	2.4	nM	8.62	Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins follo...	30853331
T-cell	IC50	=	15.0	nM	7.82	Antiproliferative activity against rat T cells cultured with Concanavalin A for ...	30853331
Tyrosine-protein kinase JAK2	IC50	=	1096.0	nM	5.96	Inhibition of human JAK2 using TK-substrate-biotin preincubated for 5 mins follo...	30853331
Tyrosine-protein kinase JAK1	IC50	=	1286.0	nM	5.89	Inhibition of human JAK1 using TK-substrate-biotin preincubated for 5 mins follo...	30853331

PubMed	DOI	Target Context	# Activities
30853331	10.1016/j.bmc.2019.03.009	Unchecked	2
30853331	10.1016/j.bmc.2019.03.009	Tyrosine-protein kinase JAK3	1
30853331	10.1016/j.bmc.2019.03.009	Tyrosine-protein kinase JAK2	1
30853331	10.1016/j.bmc.2019.03.009	Tyrosine-protein kinase JAK1	1
30853331	10.1016/j.bmc.2019.03.009	Non-receptor tyrosine-protein kinase TYK2	1
30853331	10.1016/j.bmc.2019.03.009	T-cell	1

Data from ChEMBL 36 via Core Engine