Compound Detail

CHEMBL255873

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N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL255873
Phase	Preclinical
Structure Type	MOL
InChI Key	PASHZAODQHXVOG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

318.4

MW (Da)

2.43

ALogP

HBA

HBD

78.0

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	IC50	8.4	8.4	4.0	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	IC50	4.02	4.02	96000.0	1

Parameter	Value	Units	Species
CL	8.3	mL.min-1.g-1	Homo sapiens
CL	39.9	mL.min-1.g-1	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Interleukin-1 receptor-associated kinase 4	IC50	=	4.0	nM	8.4	Inhibition of IRAK4	18501603
Interleukin-1 receptor-associated kinase 1	IC50	=	96000.0	nM	4.02	Inhibition of IRAK1	18501603

PubMed	DOI	Target Context	# Activities
18501603	10.1016/j.bmcl.2008.04.042	ADMET	2
18501603	10.1016/j.bmcl.2008.04.042	Interleukin-1 receptor-associated kinase 4	1
18501603	10.1016/j.bmcl.2008.04.042	Interleukin-1 receptor-associated kinase 1	1
18501603	10.1016/j.bmcl.2008.04.042	PBMC	1
18501603	10.1016/j.bmcl.2008.04.042	Cytochrome P450 3A4	1
18501603	10.1016/j.bmcl.2008.04.042	Cytochrome P450 2D6	1

Data from ChEMBL 36 via Core Engine