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Compound Detail

CHEMBL2103868

CABOZANTINIB S-MALATE
💊 Approved Drug
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💊 Approved Drug
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2103868
Name CABOZANTINIB S-MALATE
Phase Approved
Structure Type MOL
InChI Key HFCFMRYTXDINDK-WNQIDUERSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL2105717
Active Moiety CHEMBL2105717

Known Names

BMS-907351 Cabometyx Cabozantinib (s)-malate Cabozantinib malate Cabozantinib s-malate Cometriq XL-184 XL184
7
Targets
9
Activities
1
Assay Types
0
PK Parameters
14
Publications
8
Known Names
20
Indications
2
Mechanisms

Molecular Properties

501.5
MW (Da)
5.54
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2012
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning
USAN Stem -tinib
USAN Year 2011

Extended Properties

Molecular Formula C32H30FN3O10
MW 635.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.76

Mechanism of Action

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

Indications

Carcinoma, Hepatocellular Carcinoma, Renal Cell Carcinoma, Renal Cell Carcinoma, Renal Cell Thyroid Neoplasms Thyroid Neoplasms Thyroid Neoplasms Thyroid Neoplasms Adenocarcinoma, Follicular Adrenal Cortex Neoplasms Astrocytoma Carcinoma, Neuroendocrine Carcinoma, Non-Small-Cell Lung Carcinoma, Small Cell Endometrial Neoplasms Glioblastoma Nasopharyngeal Carcinoma Osteosarcoma Pheochromocytoma Prostatic Neoplasms

Drug Warnings

Black Box Warning
General Warning
Country: United States

Activity Summary

IC50 9 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.52 8.52 3.0 1
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.49 8.075 3.2 2
EBC-1
CHEMBL4296411
 IC50 8.27 8.27 5.4 1
SNU-5
CHEMBL614934
 IC50 7.88 7.88 13.2 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 7.7 7.7 19.9 1
HUVEC
CHEMBL613979
 IC50 7.35 7.33 45.0 2
NCI-H460
CHEMBL396
 IC50 7.34 7.34 45.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 3.0 nM 8.52 Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate aft... 30248654
Hepatocyte growth factor receptor IC50 = 3.2 nM 8.49 Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate afte... 30248654
EBC-1 IC50 = 5.4 nM 8.27 Antiproliferative activity against human EBC1 cells after 72 hrs by MTT assay 30248654
SNU-5 IC50 = 13.2 nM 7.88 Antiproliferative activity against human SNU5 cells after 72 hrs by MTT assay 30248654
NON-PROTEIN TARGET IC50 = 19.86 nM 7.7 Antiproliferative activity against mouse BA/F3 cells expressing TPR-Met after 72... 27068889
Hepatocyte growth factor receptor IC50 = 21.9 nM 7.66 Inhibition of TPR-tagged met (unknown origin) expressed in mouse BAF3 cells asse... 30248654
HUVEC IC50 = 45.0 nM 7.35 Antiproliferative activity against recombinant human VEGF-stimulated HUVEC after... 27068889
NCI-H460 IC50 = 45.5 nM 7.34 Antiproliferative activity against human NCI-H460 cells after 72 hrs by MTT assa... 30248654
HUVEC IC50 = 48.6 nM 7.31 Cytotoxicity against HUVEC after 96 hrs by MTT assay 30248654

Literature References

PubMed DOI Target Context # Activities
30248654 10.1016/j.ejmech.2018.09.050 Hepatocyte growth factor receptor 2
30248654 10.1016/j.ejmech.2018.09.050 No relevant target 2
27068889 10.1016/j.bmc.2016.03.061 NON-PROTEIN TARGET 1
27068889 10.1016/j.bmc.2016.03.061 No relevant target 1
27068889 10.1016/j.bmc.2016.03.061 HUVEC 1
27068889 10.1016/j.bmc.2016.03.061 Hepatocyte growth factor receptor 1
27068889 10.1016/j.bmc.2016.03.061 Vascular endothelial growth factor receptor 2 1
30248654 10.1016/j.ejmech.2018.09.050 NCI-H460 1
30248654 10.1016/j.ejmech.2018.09.050 A549 1
30248654 10.1016/j.ejmech.2018.09.050 HUVEC 1
30248654 10.1016/j.ejmech.2018.09.050 EBC-1 1
30248654 10.1016/j.ejmech.2018.09.050 SNU-5 1
30248654 10.1016/j.ejmech.2018.09.050 Vascular endothelial growth factor receptor 2 1
38157838 10.1016/j.bmc.2023.117561 Unchecked 1

Data from ChEMBL 36 via Core Engine