Compound Detail

CHEMBL3039525

GOLVATINIB

🧪 Phase II

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🧪 Phase II

CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3039525
Name	GOLVATINIB
Phase	Phase II
Structure Type	MOL
InChI Key	UQRCJCNVNUFYDX-UHFFFAOYSA-N

Known Names

E-7050 E7050 Golvatinib

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

633.7

MW (Da)

4.75

ALogP

HBA

HBD

119.1

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-tinib
USAN Year	2011

Extended Properties

Molecular Formula	C33H37F2N7O4
MW	633.70
Aromatic Rings	3
Heavy Atoms	46
NP-Likeness	-1.49

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Hepatocyte growth factor receptor inhibitor	INHIBITOR	Hepatocyte growth factor receptor	✓	✓
Vascular endothelial growth factor receptor 2 inhibitor	INHIBITOR	Vascular endothelial growth factor receptor 2	✓	✓

Indications

Carcinoma, Squamous Cell Neoplasms Neoplasms Stomach Neoplasms

Activity Summary

Kd 37 meas. best 8.4

IC50 27 meas. best 8.21

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	8.4	8.4	4.0	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	8.3	8.3	5.0	1
SNU-5 CHEMBL614934	IC50	8.21	8.21	6.2	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	8.21	7.725	6.2	4
Hepatocyte growth factor receptor CHEMBL3717	IC50	7.85	7.8125	14.0	4
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.8	7.6667	16.0	3
HUVEC CHEMBL613979	IC50	7.77	7.425	17.0	2
Hs746T CHEMBL614579	IC50	7.64	7.64	23.0	1
EBC-1 CHEMBL4296411	IC50	7.62	7.62	24.0	1
Macrophage-stimulating protein receptor CHEMBL2689	Kd	7.6	7.6	25.0	1
Ephrin type-A receptor 2 CHEMBL2068	Kd	7.52	7.52	30.0	1
MKN-45 CHEMBL614354	IC50	7.43	7.43	37.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	7.41	7.41	39.0	1
Protein-tyrosine kinase 6 CHEMBL4601	Kd	7.28	7.28	53.0	1
Ephrin type-A receptor 7 CHEMBL4602	Kd	7.11	7.11	77.0	1
Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014	Kd	7.01	7.01	97.0	1
Ephrin type-B receptor 4 CHEMBL5147	Kd	6.96	6.96	109.0	1
Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199	Kd	6.77	6.77	170.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	6.76	6.76	175.0	1
Serine/threonine-protein kinase 24 CHEMBL5082	Kd	6.68	6.68	207.0	1
Ephrin type-A receptor 5 CHEMBL3987	Kd	6.67	6.67	214.0	1
Ephrin type-B receptor 6 CHEMBL5836	Kd	6.59	6.59	255.0	1
Dual specificity testis-specific protein kinase 1 CHEMBL5604	Kd	6.54	6.54	286.0	1
Ephrin type-B receptor 2 CHEMBL3290	Kd	6.52	6.52	302.0	1
Tyrosine-protein kinase Lck CHEMBL258	Kd	6.28	6.28	524.0	1
High affinity nerve growth factor receptor CHEMBL2815	Kd	6.22	6.22	601.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	6.2	6.2	631.0	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Kd	6.16	6.16	695.0	1
Breakpoint cluster region protein CHEMBL5146	Kd	6.15	6.15	703.0	1
Tyrosine-protein kinase ABL2 CHEMBL4014	Kd	6.14	6.14	722.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	6.04	6.04	907.0	1
Serine/threonine-protein kinase/endoribonuclease IRE2 CHEMBL4105932	Kd	6.01	6.01	986.0	1
Protein-tyrosine kinase 2-beta CHEMBL5469	Kd	6.0	6.0	1006.0	1
Ephrin type-A receptor 4 CHEMBL3988	Kd	5.99	5.99	1033.0	1
Eukaryotic translation initiation factor 2-alpha kinase 1 CHEMBL6029	Kd	5.97	5.97	1080.0	1
Tyrosine-protein kinase HCK CHEMBL3234	Kd	5.97	5.97	1070.0	1
Mitogen-activated protein kinase kinase kinase 1 CHEMBL3956	Kd	5.96	5.96	1106.0	1
Mitogen-activated protein kinase 14 CHEMBL260	Kd	5.95	5.95	1111.0	1
Tyrosine-protein kinase Lyn CHEMBL3905	Kd	5.82	5.82	1527.0	1
Serine/threonine-protein kinase TAO2 CHEMBL1075195	Kd	5.67	5.67	2121.0	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Kd	5.66	5.66	2209.0	1
LIM domain kinase 1 CHEMBL3836	Kd	5.62	5.62	2392.0	1
Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948	Kd	5.61	5.61	2452.0	1
HeLa CHEMBL399	IC50	5.38	5.375	4140.0	2
Ephrin type-B receptor 3 CHEMBL4901	Kd	5.32	5.32	4824.0	1
SARS-CoV-2 CHEMBL4303835	IC50	5.23	5.23	5890.0	2
A549 CHEMBL392	IC50	5.16	5.135	6890.0	2
Tyrosine-protein kinase FRK CHEMBL4223	Kd	4.96	4.96	10837.0	1
MCF7 CHEMBL387	IC50	4.81	4.6	15440.0	3
HepG2 CHEMBL395	IC50	4.18	4.18	65500.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	Kd	=	4.0	nM	8.4	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Epithelial discoidin domain-containing receptor 1	Kd	=	5.0	nM	8.3	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
NON-PROTEIN TARGET	IC50	=	6.2	nM	8.21	Cytotoxicity against human EBC1 cells assessed as inhibition of tumour growth af...	26717201
SNU-5	IC50	=	6.2	nM	8.21	Antiproliferative activity against human SNU-5 cells assessed as inhibition of c...	37262349
Hepatocyte growth factor receptor	IC50	=	14.0	nM	7.85	Inhibition of MET autophosphorylation in human MKN45 cells after 2 hrs by Wester...	27299736
Hepatocyte growth factor receptor	IC50	=	14.0	nM	7.85	Inhibition of c-Met autophosphorylation in human MKN45 cells after 2 hrs by West...	26717201
Hepatocyte growth factor receptor	IC50	=	14.0	nM	7.85	Inhibition of MET (unknown origin)	37262349
Vascular endothelial growth factor receptor 2	IC50	=	16.0	nM	7.8	Inhibition of VEGFR-2 autophosphorylation in HUVEC after 1 hr by Western blot an...	26717201
Vascular endothelial growth factor receptor 2	IC50	=	16.0	nM	7.8	Inhibition of VEGF induced VEGFR2 phosphorylation in HUVEC preincubated for 1 hr...	27299736
HUVEC	IC50	=	17.0	nM	7.77	Antiangiogenic activity in HUVEC assessed as inhibition of HGF induced cell prol...	26717201
Hepatocyte growth factor receptor	IC50	=	20.0	nM	7.7	Inhibition of human recombinant c-Met pre-incubated for 5 mins before ATP/substr...	25082515
Hs746T	IC50	=	23.0	nM	7.64	Antiproliferative activity against human Hs746T cells assessed as inhibition of ...	37262349
NON-PROTEIN TARGET	IC50	=	23.0	nM	7.64	Cytotoxicity against human Hs 746T cells assessed as inhibition of tumour growth...	26717201
EBC-1	IC50	=	24.0	nM	7.62	Antiproliferative activity against human EBC-1 cells assessed as inhibition of c...	37262349
NON-PROTEIN TARGET	IC50	=	24.0	nM	7.62	Cytotoxicity against human SNU5 cells assessed as inhibition of tumour growth af...	26717201
Macrophage-stimulating protein receptor	Kd	=	25.0	nM	7.6	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-A receptor 2	Kd	=	30.0	nM	7.52	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
NON-PROTEIN TARGET	IC50	=	37.0	nM	7.43	Cytotoxicity against human MKN45 cells assessed as inhibition of tumour growth a...	26717201
MKN-45	IC50	=	37.0	nM	7.43	Antiproliferative activity against human MKN-45 cells assessed as inhibition of ...	37262349
Discoidin domain-containing receptor 2	Kd	=	39.0	nM	7.41	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

Literature References

PubMed	DOI	Target Context	# Activities
33316412	10.1016/j.bmcl.2020.127740	A549	11
29191878	10.1126/science.aan4368	Unchecked	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
26717201	10.1016/j.ejmech.2015.12.016	NON-PROTEIN TARGET	4
26717201	10.1016/j.ejmech.2015.12.016	HUVEC	3
32173195	10.1016/j.bmcl.2020.127076	HeLa	2
-	10.6019/CHEMBL4495565	Vero C1008	2
-	10.6019/CHEMBL4495565	ADMET	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1
29191878	10.1126/science.aan4368	Actin-related protein 2	1
29191878	10.1126/science.aan4368	Long-chain-fatty-acid--CoA ligase 5	1
38157838	10.1016/j.bmc.2023.117561	Unchecked	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 11	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL2	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL1	1
27299736	10.1021/acs.jmedchem.6b00472	Vascular endothelial growth factor receptor 2	1
26717201	10.1016/j.ejmech.2015.12.016	Vascular endothelial growth factor receptor 2	1
26717201	10.1016/j.ejmech.2015.12.016	Hepatocyte growth factor receptor	1
25082515	10.1016/j.bmc.2014.07.008	HepG2	1

Data from ChEMBL 36 via Core Engine