Compound Detail

CHEMBL4279192

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CN(C)[C@H]1CC[C@H](Nc2ncnc3[nH]cc([C@H]4CC[C@H](C(N)=O)CC4)c23)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4279192
Phase	Preclinical
Structure Type	MOL
InChI Key	APLFXDJBXZUPOM-BIAGXBKMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

384.5

MW (Da)

3.00

ALogP

HBA

HBD

99.9

PSA (Å²)

0.74

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	7.26	4.0	2

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 recombinant full length His-tagged human IRAK4 expressed in baculo...	29398441
Interleukin-1 receptor-associated kinase 4	IC50	=	758.0	nM	6.12	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	3
29398441	10.1016/j.bmc.2018.01.008	Proto-oncogene tyrosine-protein kinase Src	3
29398441	10.1016/j.bmc.2018.01.008	Proto-oncogene tyrosine-protein kinase receptor Ret	3
29398441	10.1016/j.bmc.2018.01.008	Fibroblast growth factor receptor 1	2
29398441	10.1016/j.bmc.2018.01.008	ADMET	2
29398441	10.1016/j.bmc.2018.01.008	3-phosphoinositide-dependent protein kinase 1	2
29398441	10.1016/j.bmc.2018.01.008	Epidermal growth factor receptor	2
29398441	10.1016/j.bmc.2018.01.008	Dual specificity tyrosine-phosphorylation-regulated kinase 2	1
29398441	10.1016/j.bmc.2018.01.008	Focal adhesion kinase 1	1
29398441	10.1016/j.bmc.2018.01.008	Receptor tyrosine-protein kinase erbB-4	1
29398441	10.1016/j.bmc.2018.01.008	Ephrin type-B receptor 4	1
29398441	10.1016/j.bmc.2018.01.008	Ephrin type-B receptor 1	1
29398441	10.1016/j.bmc.2018.01.008	Ephrin type-A receptor 5	1
29398441	10.1016/j.bmc.2018.01.008	Eukaryotic elongation factor 2 kinase	1
29398441	10.1016/j.bmc.2018.01.008	Myotonin-protein kinase	1
29398441	10.1016/j.bmc.2018.01.008	Discoidin domain-containing receptor 2	1
29398441	10.1016/j.bmc.2018.01.008	Tyrosine-protein kinase Yes	1
29398441	10.1016/j.bmc.2018.01.008	Dual specificity protein kinase CLK1	1
29398441	10.1016/j.bmc.2018.01.008	Mast/stem cell growth factor receptor Kit	1
29398441	10.1016/j.bmc.2018.01.008	Casein kinase II subunit alpha'	1

Data from ChEMBL 36 via Core Engine