Compound Detail

CHEMBL286160

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL286160
Phase	Preclinical
Structure Type	MOL
InChI Key	SWIHGAFGYUTAOY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

377.8

MW (Da)

4.20

ALogP

HBA

HBD

65.5

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C18H17ClFN3O3
MW	377.80
Aromatic Rings	3
Heavy Atoms	26
NP-Likeness	-1.56

Activity Summary

IC50 11 meas. best 8.15

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.15	8.15	7.0	3
Vascular endothelial growth factor receptor CHEMBL2095227	IC50	7.4	7.4	40.0	1
Epidermal growth factor receptor CHEMBL203	IC50	7.0	7.0	100.0	2
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	6.4	6.4	400.0	2
HUVEC CHEMBL613979	IC50	5.3	5.3	5000.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	4.57	4.57	27000.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	7.0	nM	8.15	Inhibition of vascular endothelial growth factor receptor 2 kinase activity at a...	11881999
Vascular endothelial growth factor receptor 2	IC50	=	7.0	nM	8.15	Vascular endothelial growth factor receptor 2 inhibitory activity at 2 uM of ATP...	10639280
Vascular endothelial growth factor receptor 2	IC50	=	7.0	nM	8.15	Inhibition of KDR	17306530
Vascular endothelial growth factor receptor	IC50	=	40.0	nM	7.4	Inhibition of human endothelial cell growth stimulate by vascular endothelial gr...	11881999
Epidermal growth factor receptor	IC50	=	100.0	nM	7.0	Inhibition of epidermal growth factor receptor kinase activity at a concentratio...	11881999
Epidermal growth factor receptor	IC50	=	100.0	nM	7.0	Inhibition of human endothelial cell growth stimulate by endothelial growth fact...	11881999
Vascular endothelial growth factor receptor 1	IC50	=	400.0	nM	6.4	Inhibition of fms-like tyrosine kinase receptor (Flt-1) kinase activity at a con...	11881999
Vascular endothelial growth factor receptor 1	IC50	=	400.0	nM	6.4	In vitro vascular endothelial growth factor receptor 1 inhibitory activity at 2 ...	10639280
HUVEC	IC50	=	5000.0	nM	5.3	Inhibition of basal unstimulated growth of human endothelial cell	11881999
Fibroblast growth factor receptor 1	IC50	=	27000.0	nM	4.57	Inhibition fibroblast growth factor receptor TK kinase activity at a concentrati...	11881999
Fibroblast growth factor receptor 1	IC50	=	27000.0	nM	4.57	FGFR-1 (FTK) inhibitory activity at 2 uM of ATP in vitro.	10639280

Literature References

PubMed	DOI	Target Context	# Activities
11881999	10.1021/jm011022e	Epidermal growth factor receptor	2
11881999	10.1021/jm011022e	ADMET	2
10639280	10.1021/jm990345w	Mus musculus	2
11881999	10.1021/jm011022e	Vascular endothelial growth factor receptor 1	1
11881999	10.1021/jm011022e	Vascular endothelial growth factor receptor 2	1
11881999	10.1021/jm011022e	Fibroblast growth factor receptor 1	1
11881999	10.1021/jm011022e	Vascular endothelial growth factor receptor	1
11881999	10.1021/jm011022e	HUVEC	1
10639280	10.1021/jm990345w	Vascular endothelial growth factor receptor 1	1
10639280	10.1021/jm990345w	Vascular endothelial growth factor receptor 2	1
10639280	10.1021/jm990345w	Fibroblast growth factor receptor 1	1
10639280	10.1021/jm990345w	Rattus norvegicus	1
10639280	10.1021/jm990345w	Unchecked	1
10639280	10.1021/jm990345w	VEGF-receptor 2 and Fibroblast growth factor receptor 1	1
17306530	10.1016/j.bmcl.2007.01.089	Vascular endothelial growth factor receptor 2	1

Data from ChEMBL 36 via Core Engine