Compound Detail

CHEMBL1230609

FORETINIB

🧪 Phase II

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🧪 Phase II

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1230609
Name	FORETINIB
Phase	Phase II
Structure Type	MOL
InChI Key	CXQHYVUVSFXTMY-UHFFFAOYSA-N

Known Names

EXEL-2880 Foretinib GSK-089 Gsk-1363089 GSK-1363089G GSK089 Gsk1363089 GSK1363089G XL-880 XL880

224

Targets

644

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

632.7

MW (Da)

5.77

ALogP

HBA

HBD

111.2

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-retin-; -tinib
USAN Year	2009

Extended Properties

Molecular Formula	C34H34F2N4O6
MW	632.66
Aromatic Rings	4
Heavy Atoms	46
NP-Likeness	-1.25

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Tyrosine-protein kinase receptor FLT3 inhibitor	INHIBITOR	Receptor-type tyrosine-protein kinase FLT3	✓	✓
Stem cell growth factor receptor inhibitor	INHIBITOR	Mast/stem cell growth factor receptor Kit	✓	✓
Hepatocyte growth factor receptor inhibitor	INHIBITOR	Hepatocyte growth factor receptor	✓	✓
Platelet-derived growth factor receptor inhibitor	INHIBITOR	Platelet-derived growth factor receptor	✓	✓
Tyrosine-protein kinase TIE-2 inhibitor	INHIBITOR	Angiopoietin-1 receptor	✓	✓
Vascular endothelial growth factor receptor inhibitor	INHIBITOR	Vascular endothelial growth factor receptor	✓	✓

Indications

Breast Neoplasms Carcinoma, Renal Cell Head and Neck Neoplasms Neoplasms Neoplasms Carcinoma, Hepatocellular Lung Neoplasms

Activity Summary

IC50 347 meas. best 9.4

Kd 286 meas. best 10.03

Ki 9 meas. best 8.55

EC50 2 meas. best 7.57

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase receptor UFO CHEMBL4895	Kd	10.03	10.03	0.1	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	9.7	8.86	0.2	3
Tyrosine-protein kinase Mer CHEMBL5331	Kd	9.57	9.57	0.3	1
Hepatocyte growth factor receptor CHEMBL3717	IC50	9.4	8.5186	0.4	66
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Kd	9.29	9.29	0.5	1
Serine/threonine-protein kinase 10 CHEMBL3981	Kd	9.28	9.28	0.5	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	9.17	8.774	0.7	5
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	9.1	8.3775	0.8	4
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	9.1	7.9717	0.8	24
Tyrosine-protein kinase receptor Tie-1 CHEMBL5274	Kd	9.1	9.1	0.8	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	9.09	8.5922	0.8	9
Hepatocyte growth factor receptor CHEMBL3717	Kd	9.09	8.326	0.8	5
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	9.02	9.02	1.0	1
Ephrin type-A receptor 3 CHEMBL4954	Kd	9.0	9.0	1.0	1
Angiopoietin-1 receptor CHEMBL4128	IC50	8.96	8.96	1.1	1
Ephrin type-A receptor 6 CHEMBL4526	Kd	8.96	8.96	1.1	1
Ephrin type-B receptor 6 CHEMBL5836	Kd	8.89	7.565	1.3	2
Vascular endothelial growth factor receptor 3 CHEMBL1955	Kd	8.82	8.82	1.5	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	8.78	8.546	1.7	5
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Kd	8.74	8.74	1.8	1
Ephrin type-A receptor 8 CHEMBL4134	Kd	8.74	8.74	1.8	1
Ephrin type-A receptor 4 CHEMBL3988	Kd	8.72	7.375	1.9	2
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Kd	8.7	8.7	2.0	1
Macrophage-stimulating protein receptor CHEMBL2689	IC50	8.69	8.493	2.0	10
Mast/stem cell growth factor receptor Kit CHEMBL1936	Kd	8.68	8.3175	2.1	8
MKN-45 CHEMBL614354	IC50	8.64	7.5442	2.3	12
Ephrin type-A receptor 7 CHEMBL4602	Kd	8.6	8.45	2.5	2
Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948	Kd	8.6	7.7	2.5	2
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	8.55	8.55	2.8	1
High affinity nerve growth factor receptor CHEMBL2815	IC50	8.53	8.53	3.0	1
Macrophage-stimulating protein receptor CHEMBL2689	Kd	8.52	7.78	3.0	2
STE20-like serine/threonine-protein kinase CHEMBL4202	Kd	8.52	8.52	3.0	1
Angiopoietin-1 receptor CHEMBL4128	Kd	8.51	8.51	3.1	1
NT-3 growth factor receptor CHEMBL5608	Kd	8.47	8.47	3.4	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Kd	8.46	7.715	3.5	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	8.44	8.32	3.6	9
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	8.44	8.33	3.6	5
Ephrin type-A receptor 2 CHEMBL2068	Kd	8.44	7.82	3.6	2
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	8.44	7.59	3.6	2
Cyclin-dependent kinase 7 CHEMBL3055	Kd	8.43	8.43	3.7	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Kd	8.43	8.43	3.7	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Kd	8.42	8.42	3.8	1
Tyrosine-protein kinase FRK CHEMBL4223	Kd	8.42	7.985	3.8	2
H-2 class II histocompatibility antigen gamma chain/Proto-oncogene tyrosine-protein kinase ROS CHEMBL6066844	IC50	8.42	8.34	3.8	2
Ephrin type-B receptor 2 CHEMBL3290	Kd	8.41	6.855	3.9	2
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	8.4	7.3238	4.0	16
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	8.4	8.2	4.0	9
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Kd	8.4	7.35	4.0	2
BDNF/NT-3 growth factors receptor CHEMBL4898	Kd	8.39	8.39	4.1	1
Protein-tyrosine kinase 6 CHEMBL4601	Kd	8.37	7.365	4.3	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase receptor UFO	Kd	=	0.093	nM	10.03	Binding constant for AXL kinase domain	22037378
Epithelial discoidin domain-containing receptor 1	Kd	=	0.2	nM	9.7	Binding affinity to DDR1 (unknown origin)	25569119
Epithelial discoidin domain-containing receptor 1	Kd	=	0.2	nM	9.7	Binding constant for DDR1 kinase domain	22037378
Tyrosine-protein kinase Mer	Kd	=	0.27	nM	9.57	Binding constant for MERTK kinase domain	22037378
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of cMET (unknown origin)	33636537
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-MET (unknown origin) phosphorylation	38169272
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met (unknown origin)	38477575
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of MET (unknown origin)	37262349
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met (unknown origin)	35763868
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met (unknown origin)	27524312
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-MET (unknown origin)	30248654
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of Met (unknown origin) using poly(Glu, Tyr) 4:1 as substrate preincu...	26717201
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met (unknown origin)	24792774
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met (unknown origin)	24996144
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met (unknown origin) using poly(Glu, Tyr)4:1 as substrate preinc...	27490023
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met kinase (unknown origin)	25461320
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate prei...	27068889
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of NH2-terminal His-tagged MET kinase domain (1051 to 1348 residues) ...	27299736
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of c-Met (unknown origin)	23644189
Hepatocyte growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of human full length MET by scintillation counting method in presence...	26555154

Literature References

PubMed	DOI	Target Context	# Activities
22037378	10.1038/nbt.1990	Tyrosine-protein kinase ABL1	15
22037378	10.1038/nbt.1990	Epidermal growth factor receptor	12
31531204	10.1021/acsmedchemlett.9b00276	Hepatocyte growth factor receptor	10
22037378	10.1038/nbt.1990	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	10
28787156	10.1021/acs.jmedchem.7b00794	HCC827	10
26254279	10.18632/oncotarget.4214	Vascular endothelial growth factor receptor 2	9
22037378	10.1038/nbt.1990	Mast/stem cell growth factor receptor Kit	8
-	10.6019/CHEMBL5058564	U2OS	8
-	10.6019/CHEMBL5058564	Fibroblast	8
-	10.6019/CHEMBL5058564	HEK-293T	8
26254279	10.18632/oncotarget.4214	Hepatocyte growth factor receptor	8
27187857	10.1016/j.ejmech.2016.04.062	NON-PROTEIN TARGET	7
22037378	10.1038/nbt.1990	Receptor-type tyrosine-protein kinase FLT3	7
28787156	10.1021/acs.jmedchem.7b00794	Protein smoothened	6
26717201	10.1016/j.ejmech.2015.12.016	NON-PROTEIN TARGET	6
-	10.6019/CHEMBL3885741	Aurora kinase A	6
25733882	10.1073/pnas.1420785112	Proto-oncogene tyrosine-protein kinase ROS	6
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	5
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	5
29191878	10.1126/science.aan4368	Unchecked	5

Data from ChEMBL 36 via Core Engine