Compound Detail

CHEMBL50470

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CCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL50470
Phase	Preclinical
Structure Type	MOL
InChI Key	NZHAVEPSCYGCPU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.4

MW (Da)

4.45

ALogP

HBA

HBD

63.0

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 11 meas. best 6.02

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	6.02	6.02	960.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	6.02	6.02	960.0	2
Epidermal growth factor receptor CHEMBL203	IC50	5.87	5.86	1350.0	2
Fibroblast growth factor receptor CHEMBL2095217	IC50	5.71	5.71	1970.0	1
Platelet-derived growth factor receptor CHEMBL2096980	IC50	5.05	5.05	8850.0	1
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	5.05	5.05	8900.0	2
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	4.86	4.855	13900.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase Src	IC50	=	960.0	nM	6.02	Inhibition of avian c-Src tyrosine kinase	9703473
Proto-oncogene tyrosine-protein kinase Src	IC50	=	960.0	nM	6.02	Inhibitory activity against avian c-Src tyrosine kinase was determined.	10956222
Proto-oncogene tyrosine-protein kinase Src	IC50	=	960.0	nM	6.02	Inhibition of chicken c-Src tyrosine kinase	9599227
Epidermal growth factor receptor	IC50	=	1350.0	nM	5.87	Inhibition of human epidermal growth factor receptor	9599227
Epidermal growth factor receptor	IC50	=	1400.0	nM	5.85	Inhibitory concentration was evaluated against epidermal growth factor receptor ...	9703473
Fibroblast growth factor receptor	IC50	=	1970.0	nM	5.71	Inhibitory concentration of compound against human fibroblast growth factor rece...	9599227
Platelet-derived growth factor receptor beta	IC50	=	8900.0	nM	5.05	Inhibitory concentration was evaluated against Platelet-derived growth factor re...	9703473
Platelet-derived growth factor receptor beta	IC50	=	8900.0	nM	5.05	Inhibitory activity against mouse PDGF beta receptor tyrosine kinase	10956222
Platelet-derived growth factor receptor	IC50	=	8850.0	nM	5.05	Inhibitory concentration of compound against mouse Platelet-derived growth facto...	9599227
Fibroblast growth factor receptor 1	IC50	=	13900.0	nM	4.86	Inhibitory concentration evaluated against fibroblast growth factor receptor 1.	9703473
Fibroblast growth factor receptor 1	IC50	=	14000.0	nM	4.85	Inhibitory activity against fibroblast growth factor receptor 1	10956222

PubMed	DOI	Target Context	# Activities
17964795	10.1016/j.bmc.2007.10.024	Unchecked	2
9703473	10.1021/jm9802259	Platelet-derived growth factor receptor beta	1
9703473	10.1021/jm9802259	Fibroblast growth factor receptor 1	1
9703473	10.1021/jm9802259	Proto-oncogene tyrosine-protein kinase Src	1
9703473	10.1021/jm9802259	Epidermal growth factor receptor	1
10956222	10.1021/jm000148t	Proto-oncogene tyrosine-protein kinase Src	1
10956222	10.1021/jm000148t	Platelet-derived growth factor receptor beta	1
10956222	10.1021/jm000148t	Fibroblast growth factor receptor 1	1
9599227	10.1021/jm970634p	Platelet-derived growth factor receptor	1
9599227	10.1021/jm970634p	Fibroblast growth factor receptor	1
9599227	10.1021/jm970634p	Proto-oncogene tyrosine-protein kinase Src	1
9599227	10.1021/jm970634p	Epidermal growth factor receptor	1
17964795	10.1016/j.bmc.2007.10.024	Proto-oncogene tyrosine-protein kinase Src	1

Data from ChEMBL 36 via Core Engine