Compound Detail

CHEMBL4285338

Enter ChEMBL ID:

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

CN(C)[C@H]1CC[C@H](Nc2ncnn3ccc([C@H]4CC[C@H](C(N)=O)CC4)c23)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4285338
Phase	Preclinical
Structure Type	MOL
InChI Key	BGBIYRFKZBBZMB-GARHLSDISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

384.5

MW (Da)

2.77

ALogP

HBA

HBD

88.5

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	IC50	7.35	6.915	44.7	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Interleukin-1 receptor-associated kinase 4	IC50	=	45.0	nM	7.35	Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculo...	29398441
Interleukin-1 receptor-associated kinase 4	IC50	=	44.67	nM	7.35	Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculo...	29398441
Interleukin-1 receptor-associated kinase 4	IC50	=	331.0	nM	6.48	Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimu...	29398441
Interleukin-1 receptor-associated kinase 4	IC50	=	331.13	nM	6.48	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