Compound Detail

CHEMBL4294023

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CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](N4CCOCC4)CC3)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4294023
Phase	Preclinical
Structure Type	MOL
InChI Key	AEPGROUWXONGID-WKILWMFISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

343.5

MW (Da)

2.91

ALogP

HBA

HBD

54.7

PSA (Å²)

0.92

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.81

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	IC50	7.81	7.1875	15.5	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Interleukin-1 receptor-associated kinase 4	IC50	=	15.49	nM	7.81	Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculo...	29398441
Interleukin-1 receptor-associated kinase 4	IC50	=	16.0	nM	7.8	Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculo...	29398441
Interleukin-1 receptor-associated kinase 4	IC50	=	267.0	nM	6.57	Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimu...	29398441
Interleukin-1 receptor-associated kinase 4	IC50	=	269.15	nM	6.57	Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimu...	29398441

PubMed	DOI	Target Context	# Activities
29398441	10.1016/j.bmc.2018.01.008	Interleukin-1 receptor-associated kinase 4	4
29398441	10.1016/j.bmc.2018.01.008	ADMET	2
29398441	10.1016/j.bmc.2018.01.008	No relevant target	1

Data from ChEMBL 36 via Core Engine