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Compound Detail

CHEMBL3402762

TEPOTINIB
💊 Approved Drug
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💊 Approved Drug
CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3402762
Name TEPOTINIB
Phase Approved
Structure Type MOL
InChI Key AHYMHWXQRWRBKT-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

EMD 1214063 Emd-1214063 EMD1214063 MSC-2156119 MSC-2156119J MSC2156119 Tepotinib
9
Targets
26
Activities
2
Assay Types
23
PK Parameters
20
Publications
7
Known Names
8
Indications
1
Mechanisms

Molecular Properties

492.6
MW (Da)
4.01
ALogP
8
HBA
0
HBD
96.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2020
Availability Prescription
Chirality Achiral

Routes of Administration

Oral
USAN Stem -tinib
USAN Year 2019

Extended Properties

Molecular Formula C29H28N6O2
MW 492.58
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.73

Mechanism of Action

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

Indications

Neoplasms Neoplasms Adenocarcinoma of Lung Carcinoma, Non-Small-Cell Lung Colorectal Neoplasms Brain Neoplasms Carcinoma, Hepatocellular Liver Diseases

ATC Classification

L01EX21
tepotinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 24 meas. best 8.93
Kd 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 Kd 9.0 9.0 1.0 1
MHCC97H
CHEMBL4296470
 IC50 8.93 8.39 1.2 3
BaF3
CHEMBL614524
 IC50 8.82 7.19 1.5 11
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.52 8.28 3.0 5
Hs746T
CHEMBL614579
 IC50 8.35 8.35 4.5 1
SNU-16
CHEMBL613529
 IC50 6.44 6.44 363.0 1
Ribosyldihydronicotinamide dehydrogenase [quinone]
CHEMBL3959
 Kd 6.06 6.06 875.0 1
AGS
CHEMBL613860
 IC50 5.84 5.84 1448.0 1
HepG2
CHEMBL395
 IC50 5.44 5.44 3600.0 1
L02
CHEMBL4296457
 IC50 4.97 4.97 10640.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 60.0 mL.min-1.kg-1 Mus musculus
CL 66.67 mL.min-1.kg-1 Mus musculus
CL 78.33 mL.min-1.kg-1 Rattus norvegicus
CL 12.17 mL.min-1.kg-1 Macaca fascicularis
CL 55.0 mL.min-1.kg-1 Canis lupus familiaris
Cmax 126.27 nM Mus musculus
Cmax 133.99 nM Rattus norvegicus
Cmax 112.67 nM Macaca fascicularis
Cmax 45.47 nM Canis lupus familiaris
F 34.0 % Mus musculus
F 41.0 % Mus musculus
F 55.0 % Rattus norvegicus
F 25.0 % Macaca fascicularis
F 22.0 % Canis lupus familiaris
Fu 0.028 - Mus musculus
Fu 0.041 - Rattus norvegicus
Fu 0.052 - Macaca fascicularis
Fu 0.064 - Canis lupus familiaris
Fu 0.023 - Homo sapiens
T1/2 2.1 hr Mus musculus
T1/2 3.2 hr Rattus norvegicus
T1/2 10.0 hr Macaca fascicularis
T1/2 7.6 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor Kd = 1.0 nM 9.0 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
MHCC97H IC50 = 1.18 nM 8.93 Antiproliferative activity against human MHCC97H cells assessed as reduction in ... 38086189
BaF3 IC50 = 1.5 nM 8.82 Antiproliferative activity against mouse BaF3 cells harboring Tpr-Met fusion pro... 36355693
BaF3 IC50 = 2.5 nM 8.6 Antiproliferative activity against mouse BaF3 cells harboring Tpr-Met fusion pro... 36355693
Hepatocyte growth factor receptor IC50 = 3.0 nM 8.52 Inhibition of c-Met (unknown origin) 26717201
Hepatocyte growth factor receptor IC50 = 3.1 nM 8.51 Inhibition of N-terminal His/SUMO tagged wild type human c-Met (1038 to 1346 res... 36355693
MHCC97H IC50 = 3.66 nM 8.44 Antiproliferative activity against human MHCC97H cells incubated for 24 hrs by C... 38962837
Hepatocyte growth factor receptor IC50 = 4.0 nM 8.4 Inhibition of c-Met (unknown origin) 35763868
Hs746T IC50 = 4.5 nM 8.35 Antiproliferative activity against human Hs746T cells harboring MET alterations ... 36355693
BaF3 IC50 = 5.3 nM 8.28 Antiproliferative activity against mouse BaF3 cells harboring TPR-MET fusion pro... 38962837
BaF3 IC50 = 8.8 nM 8.06 Antiproliferative activity against mouse BaF3 cells harboring wild type Tpr-Met ... 36355693
Hepatocyte growth factor receptor IC50 = 9.0 nM 8.05 Inhibition of c-Met (unknown origin) incubated for 40 mins in presence of ATP by... 38716896
BaF3 IC50 = 10.0 nM 8.0 Antiproliferative activity against mouse BaF3 cells harboring Tpr-Met fusion pro... 36355693
Hepatocyte growth factor receptor IC50 = 12.0 nM 7.92 Inhibition of c-Met kinase in human A549 cells assessed as inhibition of phospho... 25736998
MHCC97H IC50 = 16.0 nM 7.8 Antiproliferative activity against human MHCC97H cells assessed as reduction in ... 38716896
BaF3 IC50 = 36.6 nM 7.44 Antiproliferative activity against mouse BaF3 cells harboring Tpr-Met fusion pro... 36355693
BaF3 IC50 = 46.7 nM 7.33 Antiproliferative activity against mouse BaF3 cells harboring Tpr-Met fusion pro... 36355693
SNU-16 IC50 = 363.0 nM 6.44 Antiproliferative activity against human SNU-16 cells assessed as inhibition of ... 36355693
Ribosyldihydronicotinamide dehydrogenase [quinone] Kd = 875.0 nM 6.06 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
AGS IC50 = 1448.0 nM 5.84 Antiproliferative activity against human AGS cells assessed as inhibition of cel... 36355693

Literature References

PubMed DOI Target Context # Activities
25736998 10.1016/j.bmcl.2015.02.002 Mus musculus 9
36355693 10.1021/acs.jmedchem.2c00981 BaF3 8
38962837 10.1021/acs.jmedchem.4c01004 MHCC97H 8
- 10.6019/CHEMBL5724696 U2OS 8
38962837 10.1021/acs.jmedchem.4c01004 ADMET 6
29191878 10.1126/science.aan4368 Unchecked 5
25736998 10.1016/j.bmcl.2015.02.002 Plasma 5
25736998 10.1016/j.bmcl.2015.02.002 Canis familiaris 5
25736998 10.1016/j.bmcl.2015.02.002 Cynomolgus monkey 5
25736998 10.1016/j.bmcl.2015.02.002 Rattus norvegicus 5
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
38962837 10.1021/acs.jmedchem.4c01004 BaF3 3
25736998 10.1016/j.bmcl.2015.02.002 Hepatocyte growth factor receptor 3
25736998 10.1016/j.bmcl.2015.02.002 Molecular identity unknown 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 Vero C1008 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL1 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1

Data from ChEMBL 36 via Core Engine