Compound Detail

CHEMBL259247

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Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncnc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL259247
Phase	Preclinical
Structure Type	MOL
InChI Key	MDBBPOZQZACUGK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

400.4

MW (Da)

4.31

ALogP

HBA

HBD

84.0

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 7.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
UT7 CHEMBL614057	IC50	7.92	7.92	12.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	7.85	7.85	14.0	2
Mitogen-activated protein kinase 14 CHEMBL260	IC50	6.7	6.7	199.0	2
Unchecked CHEMBL612545	IC50	6.7	6.7	199.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	IC50	6.62	6.62	240.0	1
Tyrosine-protein kinase Lck CHEMBL258	IC50	6.62	6.62	239.0	2
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	6.62	6.62	240.0	1

Parameter	Value	Units	Species
AUC	2286.0	ng.hr.mL-1	Rattus norvegicus
CL	27.07	mL.min-1.kg-1	Rattus norvegicus
Cmax	2150.56	nM	Rattus norvegicus
F	73.0	%	Rattus norvegicus
T1/2	1.4	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
UT7	IC50	=	12.0	nM	7.92	Antiproliferative activity against stem cell factor-stimulated human UT7 cells	18554909
Mast/stem cell growth factor receptor Kit	IC50	=	14.0	nM	7.85	Inhibition of c-kit	18723346
Mast/stem cell growth factor receptor Kit	IC50	=	14.0	nM	7.85	Inhibition of c-kit	18554909
Mitogen-activated protein kinase 14	IC50	=	199.0	nM	6.7	Inhibition of p38alpha by HTRF assay	18321037
Unchecked	IC50	=	199.0	nM	6.7	Inhibition of p38	18723346
Mitogen-activated protein kinase 14	IC50	=	200.0	nM	6.7	Inhibition of p38alpha	18554909
Tyrosine-protein kinase Lck	IC50	=	239.0	nM	6.62	Inhibition of Lck by HTRF assay	18321037
Tyrosine-protein kinase Lck	IC50	=	240.0	nM	6.62	Inhibition of Lck	18554909
Tyrosine-protein kinase ABL1	IC50	=	240.0	nM	6.62	Inhibition of Abl	18554909
Proto-oncogene tyrosine-protein kinase Src	IC50	=	240.0	nM	6.62	Inhibition of Src	18554909

PubMed	DOI	Target Context	# Activities
18554909	10.1016/j.bmcl.2008.05.089	Rattus norvegicus	6
18554909	10.1016/j.bmcl.2008.05.089	Unchecked	5
18554909	10.1016/j.bmcl.2008.05.089	Liver microsomes	2
18723346	10.1016/j.bmcl.2008.07.111	Unchecked	2
18554909	10.1016/j.bmcl.2008.05.089	Mitogen-activated protein kinase 14	1
18554909	10.1016/j.bmcl.2008.05.089	UT7	1
18554909	10.1016/j.bmcl.2008.05.089	Proto-oncogene tyrosine-protein kinase Src	1
18554909	10.1016/j.bmcl.2008.05.089	Tyrosine-protein kinase ABL1	1
18554909	10.1016/j.bmcl.2008.05.089	Tyrosine-protein kinase Lck	1
18554909	10.1016/j.bmcl.2008.05.089	Vascular endothelial growth factor receptor 2	1
18321037	10.1021/jm7010996	Tyrosine-protein kinase Lck	1
18554909	10.1016/j.bmcl.2008.05.089	Mast/stem cell growth factor receptor Kit	1
18723346	10.1016/j.bmcl.2008.07.111	Mast/stem cell growth factor receptor Kit	1
18321037	10.1021/jm7010996	Tyrosine-protein kinase JAK3	1
18321037	10.1021/jm7010996	Mitogen-activated protein kinase 14	1
18321037	10.1021/jm7010996	Vascular endothelial growth factor receptor 2	1
18321037	10.1021/jm7010996	Angiopoietin-1 receptor	1

Data from ChEMBL 36 via Core Engine