Compound Detail

CHEMBL4061890

Enter ChEMBL ID:

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

COc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4061890
Phase	Preclinical
Structure Type	MOL
InChI Key	IUEIQDIJUPIDTQ-VIFPVBQESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

315.3

MW (Da)

1.00

ALogP

HBA

HBD

103.5

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	IC50	8.33	7.778	4.7	5

Parameter	Value	Units	Species
CL	8.0	mL.min-1.g-1	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Interleukin-1 receptor-associated kinase 4	IC50	=	4.7	nM	8.33	IRAK4 Enzymatic DELFIA Assay, Protocol A: This is an in vitro assay to measure I...	-
Interleukin-1 receptor-associated kinase 4	IC50	=	4.7	nM	8.33	Enzymatic DELFIA Assay: Protocol B: To begin the assay, 45 μL of reaction mixtur...	-
Interleukin-1 receptor-associated kinase 4	IC50	=	4.7	nM	8.33	IRAK4 Enzymatic DELFIA Assay, Protocol A: This is an in vitro assay to measure I...	-
Interleukin-1 receptor-associated kinase 4	IC50	=	5.9	nM	8.23	Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20...	28498658
Interleukin-1 receptor-associated kinase 4	IC50	=	2118.0	nM	5.67	Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF a...	28498658

PubMed	DOI	Target Context	# Activities
28498658	10.1021/acs.jmedchem.7b00231	Interleukin-1 receptor-associated kinase 4	2
28498658	10.1021/acs.jmedchem.7b00231	MDCKII-LE	1
28498658	10.1021/acs.jmedchem.7b00231	Liver	1

Data from ChEMBL 36 via Core Engine