Compound Detail

CHEMBL3544983

TESEVATINIB

🧪 Phase III

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🧪 Phase III

COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3544983
Name	TESEVATINIB
Phase	Phase III
Structure Type	MOL
InChI Key	HVXKQKFEHMGHSL-QKDCVEJESA-N

Known Names

EXEL-7647 KD-019 KD-020 KD019 Tesevatinib Xl-647 XL647

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

491.4

MW (Da)

5.79

ALogP

HBA

HBD

59.5

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

USAN Stem	-tinib
USAN Year	2014

Extended Properties

Molecular Formula	C24H25Cl2FN4O2
MW	491.39
Aromatic Rings	3
Heavy Atoms	33
NP-Likeness	-0.72

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Ephrin type-B receptor 4 inhibitor	INHIBITOR	Ephrin type-B receptor 4	✓	✓
Epidermal growth factor receptor erbB1 inhibitor	INHIBITOR	Epidermal growth factor receptor	✓	✓
Receptor protein-tyrosine kinase erbB-2 inhibitor	INHIBITOR	Receptor tyrosine-protein kinase erbB-2	✓	✓

Indications

Carcinoma, Non-Small-Cell Lung Brain Neoplasms Glioblastoma Polycystic Kidney, Autosomal Dominant Breast Neoplasms Neoplasms Polycystic Kidney, Autosomal Recessive

Activity Summary

Kd 36 meas. best 8.7

IC50 4 meas. best 9.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	9.52	9.52	0.3	1
MAP kinase-activated protein kinase 3 CHEMBL4670	Kd	8.7	8.7	2.0	1
Ephrin type-A receptor 1 CHEMBL5810	Kd	8.1	8.1	8.0	1
Ephrin type-A receptor 7 CHEMBL4602	Kd	7.66	7.66	22.0	1
Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014	Kd	7.48	7.48	33.0	1
Ephrin type-B receptor 4 CHEMBL5147	Kd	7.43	7.43	37.0	1
Epidermal growth factor receptor CHEMBL203	Kd	7.42	7.42	38.0	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	7.3	7.3	50.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	7.19	7.19	64.0	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	7.14	7.14	73.0	1
Breakpoint cluster region protein CHEMBL5146	Kd	6.95	6.95	113.0	1
Unchecked CHEMBL612545	IC50	6.82	6.39	150.0	2
Protein-tyrosine kinase 6 CHEMBL4601	Kd	6.76	6.76	172.0	1
Tyrosine-protein kinase Lck CHEMBL258	Kd	6.68	6.68	207.0	1
Ephrin type-B receptor 6 CHEMBL5836	Kd	6.59	6.59	259.0	1
Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199	Kd	6.44	6.44	366.0	1
Ephrin type-A receptor 4 CHEMBL3988	Kd	6.36	6.36	440.0	1
Ephrin type-B receptor 2 CHEMBL3290	Kd	6.35	6.35	448.0	1
Ephrin type-A receptor 2 CHEMBL2068	Kd	6.3	6.3	501.0	1
Cyclin-G-associated kinase CHEMBL4355	Kd	6.21	6.21	615.0	1
Tyrosine-protein kinase ABL2 CHEMBL4014	Kd	6.2	6.2	628.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	6.04	6.04	921.0	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Kd	6.04	6.04	908.0	1
Casein kinase I isoform epsilon CHEMBL4937	Kd	5.99	5.99	1017.0	1
Tyrosine-protein kinase Lyn CHEMBL3905	Kd	5.95	5.95	1130.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Kd	5.95	5.95	1127.0	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Kd	5.93	5.93	1174.0	1
Tyrosine-protein kinase HCK CHEMBL3234	Kd	5.93	5.93	1161.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	5.82	5.82	1523.0	1
MAP kinase-activated protein kinase 2 CHEMBL2208	Kd	5.82	5.82	1519.0	1
Tyrosine-protein kinase BTK CHEMBL5251	Kd	5.79	5.79	1623.0	1
Mitogen-activated protein kinase kinase kinase 1 CHEMBL3956	Kd	5.76	5.76	1743.0	1
Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432	Kd	5.74	5.74	1819.0	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Kd	5.72	5.72	1907.0	1
Serine/threonine-protein kinase 10 CHEMBL3981	Kd	5.72	5.72	1905.0	1
TGF-beta receptor type-1 CHEMBL4439	Kd	5.48	5.48	3316.0	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Kd	5.47	5.47	3421.0	1
Tyrosine-protein kinase Yes CHEMBL2073	Kd	5.41	5.41	3936.0	1
Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948	Kd	4.18	4.18	65677.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	IC50	=	0.3	nM	9.52	Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated E...	30973735
MAP kinase-activated protein kinase 3	Kd	=	2.0	nM	8.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-A receptor 1	Kd	=	8.0	nM	8.1	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-A receptor 7	Kd	=	22.0	nM	7.66	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Receptor-interacting serine/threonine-protein kinase 2	Kd	=	33.0	nM	7.48	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-B receptor 4	Kd	=	37.0	nM	7.43	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Epidermal growth factor receptor	Kd	=	38.0	nM	7.42	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Vascular endothelial growth factor receptor 1	IC50	=	50.0	nM	7.3	Inhibition of recombinant human N-terminal GST-tagged factor 10a cleavage site-f...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Kd	=	64.0	nM	7.19	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Epithelial discoidin domain-containing receptor 1	Kd	=	73.0	nM	7.14	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Breakpoint cluster region protein	Kd	=	113.0	nM	6.95	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Unchecked	IC50	=	150.0	nM	6.82	Antiproliferative activity against human UCH1 cells measured after 72 hrs by ala...	30973735
Protein-tyrosine kinase 6	Kd	=	172.0	nM	6.76	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase Lck	Kd	=	207.0	nM	6.68	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-B receptor 6	Kd	=	259.0	nM	6.59	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Receptor-interacting serine/threonine-protein kinase 3	Kd	=	366.0	nM	6.44	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-A receptor 4	Kd	=	440.0	nM	6.36	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-B receptor 2	Kd	=	448.0	nM	6.35	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-A receptor 2	Kd	=	501.0	nM	6.3	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Cyclin-G-associated kinase	Kd	=	615.0	nM	6.21	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

Literature References

PubMed	DOI	Target Context	# Activities
29191878	10.1126/science.aan4368	Unchecked	4
30973735	10.1021/acs.jmedchem.9b00350	Unchecked	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
29191878	10.1126/science.aan4368	Actin-related protein 3	1
29191878	10.1126/science.aan4368	Beta-adrenergic receptor kinase 1	1
29191878	10.1126/science.aan4368	Adenosine kinase	1
29191878	10.1126/science.aan4368	Atypical kinase COQ8A, mitochondrial	1
29191878	10.1126/science.aan4368	AarF domain-containing protein kinase 1	1
29191878	10.1126/science.aan4368	Activin receptor type-2B	1
29191878	10.1126/science.aan4368	Activin receptor type-1B	1
29191878	10.1126/science.aan4368	Activin receptor type-1	1
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1
29191878	10.1126/science.aan4368	Long-chain-fatty-acid--CoA ligase 5	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 3	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 1	1
29191878	10.1126/science.aan4368	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 11	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 10	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL2	1

Data from ChEMBL 36 via Core Engine