Compound Detail

CHEMBL1908391

MASITINIB

🧪 Phase III

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🧪 Phase III

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1908391
Name	MASITINIB
Phase	Phase III
Structure Type	MOL
InChI Key	WJEOLQLKVOPQFV-UHFFFAOYSA-N
Therapeutic	✓ Yes

Known Names

Kinavet Masitinib

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

498.7

MW (Da)

5.26

ALogP

HBA

HBD

73.4

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem

-tinib

Extended Properties

Molecular Formula	C28H30N6OS
MW	498.66
Aromatic Rings	4
Heavy Atoms	36
NP-Likeness	-2.11

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Fibroblast growth factor receptor 3 inhibitor	INHIBITOR	Fibroblast growth factor receptor 3	✓	✓
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	✓	✓

Indications

Neoplasms Alzheimer Disease Amyotrophic Lateral Sclerosis Asthma Gastrointestinal Stromal Tumors Mastocytosis, Systemic Melanoma Multiple Myeloma Multiple Sclerosis Multiple Sclerosis, Chronic Progressive Pancreatic Neoplasms Prostatic Neoplasms, Castration-Resistant Arthritis, Rheumatoid Mastocytosis Ovarian Neoplasms Psoriasis Severe Acute Respiratory Syndrome

ATC Classification

L01EX06

masitinib

Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS

Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

Kd 56 meas. best 8.68

IC50 19 meas. best 7.0

EC50 7 meas. best 5.68

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	8.68	7.5007	2.1	14
Mast/stem cell growth factor receptor Kit CHEMBL1936	Kd	8.33	7.4843	4.7	7
ADP/ATP translocase 3 CHEMBL4105854	Kd	8.22	8.22	6.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Kd	8.12	8.12	7.6	1
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	8.08	6.7	8.4	2
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	8.06	7.005	8.7	2
Peroxisomal acyl-coenzyme A oxidase 1 CHEMBL4105748	Kd	7.85	7.85	14.0	1
Platelet-derived growth factor receptor alpha CHEMBL2007	Kd	7.6	7.6	25.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	7.58	6.49	26.0	2
Tyrosine-protein kinase Lck CHEMBL258	Kd	7.51	7.51	31.0	1
Tyrosine-protein kinase Lyn CHEMBL3905	Kd	7.21	7.21	61.0	1
Breakpoint cluster region protein CHEMBL5146	Kd	7.11	7.11	78.0	1
Tyrosine-protein kinase FRK CHEMBL4223	Kd	7.06	6.625	87.0	2
BMMC CHEMBL4296524	IC50	7.0	7.0	100.0	1
Tyrosine-protein kinase ABL2 CHEMBL4014	Kd	6.96	6.705	110.0	2
Tyrosine-protein kinase Fyn CHEMBL1841	Kd	6.85	6.85	140.0	1
Tyrosine-protein kinase Blk CHEMBL2250	Kd	6.82	6.82	150.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	6.7	6.7	200.0	1
Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959	Kd	6.33	6.33	469.0	1
Tyrosine-protein kinase Yes CHEMBL2073	Kd	6.24	6.24	570.0	1
Tyrosine-protein kinase Fgr CHEMBL4454	Kd	6.19	6.19	640.0	1
Tyrosine-protein kinase HCK CHEMBL3234	Kd	6.16	6.16	690.0	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	Kd	6.14	6.14	720.0	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Kd	6.11	6.11	770.0	1
Epidermal growth factor receptor CHEMBL203	Kd	6.1	5.7733	800.0	3
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Kd	6.05	6.05	900.0	1
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	Kd	5.92	5.92	1200.0	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Kd	5.89	5.89	1300.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	5.83	5.83	1480.0	1
Serine/threonine-protein kinase RIO2 CHEMBL6000	Kd	5.77	5.77	1700.0	1
Ephrin type-A receptor 8 CHEMBL4134	Kd	5.75	5.75	1800.0	1
Serine/threonine-protein kinase B-raf CHEMBL5145	Kd	5.75	5.75	1800.0	1
Human coronavirus OC43 CHEMBL5209665	EC50	5.68	5.68	2100.0	1
Unchecked CHEMBL612545	IC50	5.6	5.1171	2500.0	7
Ephrin type-A receptor 3 CHEMBL4954	Kd	5.6	5.6	2500.0	1
Replicase polyprotein 1ab CHEMBL4523582	IC50	5.6	5.6	2500.0	7
Replicase polyprotein 1ab CHEMBL4523582	EC50	5.5	5.5	3200.0	1
SARS-CoV-2 CHEMBL4303835	EC50	5.5	5.5	3200.0	3
Homo sapiens CHEMBL372	EC50	5.5	5.5	3200.0	1
A549 CHEMBL392	EC50	5.5	5.5	3200.0	1
SARS-CoV-2 CHEMBL4303835	IC50	4.92	4.92	11900.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase ABL1	Kd	=	2.1	nM	8.68	Binding constant for ABL1-non phosphorylated kinase domain	22037378
Tyrosine-protein kinase ABL1	Kd	=	4.6	nM	8.34	Binding constant for ABL1(Q252H)-phosphorylated kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	4.7	nM	8.33	Binding constant for KIT(V559D,V654A) kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	5.8	nM	8.24	Binding constant for KIT(V559D) kinase domain	22037378
Tyrosine-protein kinase ABL1	Kd	=	6.0	nM	8.22	Binding constant for ABL1(Q252H)-non phosphorylated kinase domain	22037378
ADP/ATP translocase 3	Kd	=	6.0	nM	8.22	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Macrophage colony-stimulating factor 1 receptor	Kd	=	7.6	nM	8.12	Binding constant for CSF1R kinase domain	22037378
Tyrosine-protein kinase ABL1	Kd	=	8.0	nM	8.1	Binding constant for ABL1(F317I)-non phosphorylated kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	7.9	nM	8.1	Binding constant for KIT(L576P) kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	8.1	nM	8.09	Binding constant for KIT kinase domain	22037378
Platelet-derived growth factor receptor beta	Kd	=	8.4	nM	8.08	Binding constant for PDGFRB kinase domain	22037378
Epithelial discoidin domain-containing receptor 1	Kd	=	8.7	nM	8.06	Binding constant for DDR1 kinase domain	22037378
Tyrosine-protein kinase ABL1	Kd	=	10.0	nM	8.0	Binding constant for ABL1(F317L)-non phosphorylated kinase domain	22037378
Tyrosine-protein kinase ABL1	Kd	=	11.0	nM	7.96	Binding constant for ABL1(H396P)-non phosphorylated kinase domain	22037378
Mast/stem cell growth factor receptor Kit	Kd	=	12.0	nM	7.92	Binding constant for KIT(A829P) kinase domain	22037378
Peroxisomal acyl-coenzyme A oxidase 1	Kd	=	14.0	nM	7.85	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase ABL1	Kd	=	25.0	nM	7.6	Binding constant for ABL1(Y253F)-phosphorylated kinase domain	22037378
Platelet-derived growth factor receptor alpha	Kd	=	25.0	nM	7.6	Binding constant for PDGFRA kinase domain	22037378
Discoidin domain-containing receptor 2	Kd	=	26.0	nM	7.58	Binding constant for DDR2 kinase domain	22037378
Tyrosine-protein kinase Lck	Kd	=	31.0	nM	7.51	Binding constant for LCK kinase domain	22037378

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
22037378	10.1038/nbt.1990	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	10
26254279	10.18632/oncotarget.4214	Unchecked	9
22037378	10.1038/nbt.1990	Mast/stem cell growth factor receptor Kit	8
22037378	10.1038/nbt.1990	Receptor-type tyrosine-protein kinase FLT3	7
-	10.6019/CHEMBL4495565	SARS-CoV-2	6
29191878	10.1126/science.aan4368	Unchecked	5
22037378	10.1038/nbt.1990	Proto-oncogene tyrosine-protein kinase receptor Ret	4
22037378	10.1038/nbt.1990	Hepatocyte growth factor receptor	3
-	10.6019/CHEMBL4808148	Histone deacetylase 6	3
22037378	10.1038/nbt.1990	Non-receptor tyrosine-protein kinase TYK2	2
22037378	10.1038/nbt.1990	Ribosomal protein S6 kinase alpha-6	2
22037378	10.1038/nbt.1990	Ribosomal protein S6 kinase alpha-5	2
22037378	10.1038/nbt.1990	Tyrosine-protein kinase JAK1	2
22037378	10.1038/nbt.1990	Leucine-rich repeat serine/threonine-protein kinase 2	2
22037378	10.1038/nbt.1990	Ribosomal protein S6 kinase alpha-4	2
22037378	10.1038/nbt.1990	Serine/threonine-protein kinase B-raf	2
22037378	10.1038/nbt.1990	Cyclin-dependent kinase 4	2
22037378	10.1038/nbt.1990	Fibroblast growth factor receptor 3	2

Data from ChEMBL 36 via Core Engine