Compound Detail

CHEMBL522892

DOVITINIB

🧪 Phase III

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🧪 Phase III

CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL522892
Name	DOVITINIB
Phase	Phase III
Structure Type	MOL
InChI Key	PIQCTGMSNWUMAF-UHFFFAOYSA-N

Known Names

CHIR-258 Dovitinib GFKI-258 NVP-TKI258 Tki-258

227

Targets

560

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

392.4

MW (Da)

2.54

ALogP

HBA

HBD

94.0

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-tinib
USAN Year	2007

Extended Properties

Molecular Formula	C21H21FN6O
MW	392.44
Aromatic Rings	4
Heavy Atoms	29
NP-Likeness	-1.30

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Fibroblast growth factor receptor 3 inhibitor	INHIBITOR	Fibroblast growth factor receptor 3	✓	✓
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	✓	✓
Platelet-derived growth factor receptor inhibitor	INHIBITOR	Platelet-derived growth factor receptor	✓	✓
Vascular endothelial growth factor receptor inhibitor	INHIBITOR	Vascular endothelial growth factor receptor	✓	✓

Indications

Carcinoma, Renal Cell Carcinoma, Renal Cell Adrenal Cortex Neoplasms Brain Neoplasms Breast Neoplasms Carcinoma, Adenoid Cystic Carcinoma, Hepatocellular Carcinoma, Non-Small-Cell Lung Endometrial Neoplasms Gastrointestinal Stromal Tumors Glioblastoma Glioblastoma Gliosarcoma Mesothelioma Multiple Myeloma Neoplasms Neoplasms Pheochromocytoma Prostatic Neoplasms, Castration-Resistant Stomach Neoplasms

Activity Summary

Kd 411 meas. best 9.52

Ki 83 meas. best 8.5

IC50 62 meas. best 9.0

EC50 4 meas. best 7.89

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	9.52	8.5754	0.3	13
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	9.0	8.76	1.0	2
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	9.0	8.4067	1.0	3
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	9.0	8.45	1.0	4
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	9.0	8.76	1.0	2
Calcium/calmodulin-dependent protein kinase type 1G CHEMBL5258	Kd	9.0	9.0	1.0	1
Tyrosine-protein kinase Yes CHEMBL2073	IC50	8.85	8.18	1.4	2
Mast/stem cell growth factor receptor Kit CHEMBL1936	Kd	8.8	7.5527	1.6	15
Myosin light chain kinase, smooth muscle CHEMBL3062	Kd	8.7	8.7	2.0	1
TRAF2 and NCK-interacting protein kinase CHEMBL4527	IC50	8.7	8.0033	2.0	3
Myosin light chain kinase CHEMBL4627	Kd	8.7	8.7	2.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	8.6	8.33	2.5	4
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	8.52	8.2067	3.0	3
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.52	8.144	3.0	5
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	8.5	8.5	3.2	1
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	8.42	8.1	3.8	3
MV4-11 CHEMBL613835	IC50	8.4	7.565	4.0	2
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	8.3	8.3	5.0	1
MOLM-13 CHEMBL3706572	IC50	8.3	7.2	5.0	2
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	8.2	8.2	6.3	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.1	7.7675	8.0	4
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.1	8.065	8.0	4
Misshapen-like kinase 1 CHEMBL5518	Kd	8.04	7.51	9.1	2
Misshapen-like kinase 1 CHEMBL5518	Ki	8.0	8.0	10.0	1
Mitogen-activated protein kinase kinase kinase 19 CHEMBL6191	Kd	7.92	7.92	12.0	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	7.9	7.9	12.6	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	7.89	7.89	13.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	7.7	7.7	19.9	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	7.7	7.7	19.9	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	7.7	7.7	19.9	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	7.64	7.3929	23.0	7
TRAF2 and NCK-interacting protein kinase CHEMBL4527	Kd	7.62	7.62	24.0	3
Macrophage-stimulating protein receptor CHEMBL2689	Ki	7.6	7.6	25.1	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	7.6	7.6	25.1	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	7.6	7.6	25.1	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	7.51	6.5068	31.0	22
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	7.5	7.5	31.6	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	7.5	7.5	31.6	1
Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948	Kd	7.5	6.65	32.0	2
KG-1a CHEMBL4296453	IC50	7.48	7.48	33.0	1
KG-1 CHEMBL612264	IC50	7.46	7.46	35.0	1
Microtubule-associated serine/threonine-protein kinase 1 CHEMBL1163128	Kd	7.4	7.4	40.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	7.4	7.4	39.8	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	7.4	7.4	39.8	1
Fibroblast growth factor receptor 3 CHEMBL2742	Ki	7.4	7.4	39.8	1
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	7.4	7.4	40.0	1
Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749	Kd	7.36	7.23	44.0	3
Vascular endothelial growth factor receptor 2 CHEMBL279	EC50	7.34	7.34	46.0	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	7.3	7.3	50.1	1
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Ki	7.3	7.3	50.1	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	6000.0	ng.hr.mL-1	Mus musculus
AUC	5666.67	ng.hr.mL-1	Rattus norvegicus
CL	42.0	mL.min-1.kg-1	Mus musculus
CL	43.0	mL.min-1.kg-1	Rattus norvegicus
Cmax	1707.27	nM	Mus musculus
Cmax	1223.12	nM	Rattus norvegicus
F	77.0	%	Mus musculus
F	73.0	%	Rattus norvegicus
T1/2	2.7	hr	Mus musculus
T1/2	3.5	hr	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.3	nM	9.52	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.64	nM	9.19	Binding constant for FLT3 kinase domain	18183025
Receptor-type tyrosine-protein kinase FLT3	Kd	=	0.64	nM	9.19	Binding constant for FLT3 kinase domain	22037378
Platelet-derived growth factor receptor beta	IC50	=	1.0	nM	9.0	Inhibition of recombinant PDGFRbeta (unknown origin) expressed in baculovirus in...	27914362
Mast/stem cell growth factor receptor Kit	IC50	=	1.0	nM	9.0	Inhibition of recombinant human N-terminal GST/His6-tagged c-KIT (544 to 976 res...	27914362
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1.0	nM	9.0	Inhibition of recombinant human N-terminal GST/His6-tagged FLT3 (571 to 993 resi...	27914362
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.0	nM	9.0	Inhibition of CSF-1R (unknown origin)	27914362
Calcium/calmodulin-dependent protein kinase type 1G	Kd	=	1.0	nM	9.0	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mast/stem cell growth factor receptor Kit	IC50	=	1.1	nM	8.96	Inhibition of wild-type cKIT (unknown origin)-mediated phosphorylation of biotin...	23773153
Receptor-type tyrosine-protein kinase FLT3	Kd	=	1.1	nM	8.96	Binding constant for FLT3(K663Q) kinase domain	22037378
Tyrosine-protein kinase Yes	IC50	=	1.4	nM	8.85	Inhibition of Yes1 (unknown origin) by [gamma-33P]-ATP radiolabeled enzyme activ...	23787099
Mast/stem cell growth factor receptor Kit	Kd	=	1.6	nM	8.8	Binding constant for KIT(L576P) kinase domain	22037378
Myosin light chain kinase, smooth muscle	Kd	=	2.0	nM	8.7	Binding constant for MLCK kinase domain	18183025
Myosin light chain kinase	Kd	=	2.0	nM	8.7	Binding constant for MLCK kinase domain	22037378
TRAF2 and NCK-interacting protein kinase	IC50	=	2.0	nM	8.7	Competitive inhibition of recombinant TNIK (unknown origin) using LRRKtide as su...	-
Vascular endothelial growth factor receptor 3	IC50	=	2.512	nM	8.6	Inhibition of FLT4 (unknown origin)	23937569
Mast/stem cell growth factor receptor Kit	IC50	=	3.0	nM	8.52	Inhibition of c-Kit	19113866
Vascular endothelial growth factor receptor 1	IC50	=	3.0	nM	8.52	Inhibition of VEGFR1	19113866
Macrophage colony-stimulating factor 1 receptor	IC50	=	3.0	nM	8.52	Inhibition of CSF1R	19113866
Fibroblast growth factor receptor 3	IC50	=	3.0	nM	8.52	Inhibition of FGFR3	19113866

Literature References

PubMed	DOI	Target Context	# Activities
26254279	10.18632/oncotarget.4214	Unchecked	20
22037378	10.1038/nbt.1990	Tyrosine-protein kinase ABL1	15
22037378	10.1038/nbt.1990	Epidermal growth factor receptor	12
22037378	10.1038/nbt.1990	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	10
18183025	10.1038/nbt1358	Epidermal growth factor receptor	10
22037378	10.1038/nbt.1990	Mast/stem cell growth factor receptor Kit	8
19113866	10.1021/jm800790t	Mus musculus	8
22037378	10.1038/nbt.1990	Receptor-type tyrosine-protein kinase FLT3	7
18183025	10.1038/nbt1358	Tyrosine-protein kinase ABL1	7
19113866	10.1021/jm800790t	Rattus norvegicus	6
19113866	10.1021/jm800790t	MV4-11	6
18183025	10.1038/nbt1358	Receptor-type tyrosine-protein kinase FLT3	6
19113866	10.1021/jm800790t	NON-PROTEIN TARGET	6
19113866	10.1021/jm800790t	DU-145	5
18183025	10.1038/nbt1358	Mast/stem cell growth factor receptor Kit	5
29191878	10.1126/science.aan4368	Unchecked	5
-	10.1039/C5MD00090D	TRAF2 and NCK-interacting protein kinase	5
22037378	10.1038/nbt.1990	Proto-oncogene tyrosine-protein kinase receptor Ret	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL4808148	Histone deacetylase 6	3

Data from ChEMBL 36 via Core Engine