Compound Detail

CHEMBL49596

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Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL49596
Phase	Preclinical
Structure Type	MOL
InChI Key	CWCLGIJGJSHBLC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

321.2

MW (Da)

2.88

ALogP

HBA

HBD

73.8

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C14H10Cl2N4O
MW	321.17
Aromatic Rings	3
Heavy Atoms	21
NP-Likeness	-0.75

Activity Summary

IC50 16 meas. best 6.58

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	6.58	6.58	260.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3074	IC50	6.58	6.58	260.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	6.58	6.58	260.0	2
Fibroblast growth factor receptor CHEMBL2111391	IC50	5.89	5.89	1300.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	5.89	5.89	1300.0	2
Fibroblast growth factor receptor CHEMBL2095217	IC50	5.88	5.88	1320.0	1
SW-620 CHEMBL612262	IC50	5.58	5.58	2600.0	1
Platelet-derived growth factor receptor CHEMBL2096980	IC50	5.42	5.365	3800.0	2
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	5.31	5.31	4900.0	2
HCT-8 CHEMBL613510	IC50	5.31	5.31	4900.0	1
Epidermal growth factor receptor CHEMBL203	IC50	5.25	5.25	5600.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase Src	IC50	=	260.0	nM	6.58	Inhibition of avian c-Src tyrosine kinase	9703473
Proto-oncogene tyrosine-protein kinase Src	IC50	=	260.0	nM	6.58	Inhibitory activity against avian c-Src tyrosine kinase was determined.	10956222
Proto-oncogene tyrosine-protein kinase Src	IC50	=	260.0	nM	6.58	Inhibition of mouse c-Src tyrosine kinase	9784112
Proto-oncogene tyrosine-protein kinase Src	IC50	=	260.0	nM	6.58	Inhibition of chicken c-Src tyrosine kinase	9599227
Fibroblast growth factor receptor 1	IC50	=	1300.0	nM	5.89	Inhibitory concentration evaluated against fibroblast growth factor receptor 1.	9703473
Fibroblast growth factor receptor 1	IC50	=	1300.0	nM	5.89	Inhibitory activity against fibroblast growth factor receptor 1	10956222
Fibroblast growth factor receptor	IC50	=	1300.0	nM	5.89	Inhibition of mouse fibroblast growth factor receptor tyrosine kinase (FGFr)	9784112
Fibroblast growth factor receptor	IC50	=	1320.0	nM	5.88	Inhibitory concentration of compound against human fibroblast growth factor rece...	9599227
SW-620	IC50	=	2600.0	nM	5.58	Inhibitory activity against SW-620 human colon adenocarcinoma cells was determin...	10956222
Platelet-derived growth factor receptor	IC50	=	3800.0	nM	5.42	Inhibition against of platelet-derived growth factor receptor (PDGFr)	9784112
Platelet-derived growth factor receptor beta	IC50	=	4900.0	nM	5.31	Inhibitory concentration was evaluated against Platelet-derived growth factor re...	9703473
Platelet-derived growth factor receptor beta	IC50	=	4900.0	nM	5.31	Inhibitory activity against mouse PDGF beta receptor tyrosine kinase	10956222
HCT-8	IC50	=	4900.0	nM	5.31	Inhibitory activity against HCT-8 human colon adenocarcinoma cells was determine...	10956222
Platelet-derived growth factor receptor	IC50	=	4870.0	nM	5.31	Inhibitory concentration of compound against mouse Platelet-derived growth facto...	9599227
Epidermal growth factor receptor	IC50	=	5600.0	nM	5.25	Inhibitory concentration was evaluated against epidermal growth factor receptor ...	9703473
Epidermal growth factor receptor	IC50	=	5600.0	nM	5.25	Inhibition of human epidermal growth factor receptor	9599227

Literature References

PubMed	DOI	Target Context	# Activities
17964795	10.1016/j.bmc.2007.10.024	Unchecked	2
9784112	10.1021/jm980398y	Platelet-derived growth factor receptor	1
17964795	10.1016/j.bmc.2007.10.024	Proto-oncogene tyrosine-protein kinase Src	1
9599227	10.1021/jm970634p	Epidermal growth factor receptor	1
9599227	10.1021/jm970634p	Proto-oncogene tyrosine-protein kinase Src	1
9599227	10.1021/jm970634p	Fibroblast growth factor receptor	1
9599227	10.1021/jm970634p	Platelet-derived growth factor receptor	1
9784112	10.1021/jm980398y	Proto-oncogene tyrosine-protein kinase Src	1
9784112	10.1021/jm980398y	Fibroblast growth factor receptor	1
9703473	10.1021/jm9802259	Platelet-derived growth factor receptor beta	1
10956222	10.1021/jm000148t	SW-620	1
10956222	10.1021/jm000148t	HCT-8	1
10956222	10.1021/jm000148t	Fibroblast growth factor receptor 1	1
10956222	10.1021/jm000148t	Platelet-derived growth factor receptor beta	1
10956222	10.1021/jm000148t	Proto-oncogene tyrosine-protein kinase Src	1
9703473	10.1021/jm9802259	Epidermal growth factor receptor	1
9703473	10.1021/jm9802259	Proto-oncogene tyrosine-protein kinase Src	1
9703473	10.1021/jm9802259	Fibroblast growth factor receptor 1	1

Data from ChEMBL 36 via Core Engine