CABOZANTINIB S-MALATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII DR7ST46X58
Parent Compound: CABOZANTINIB

Structure

InChI Key HFCFMRYTXDINDK-WNQIDUERSA-N
Smiles COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O
InChI
InChI=1S/C28H24FN3O5.C4H6O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18;5-2(4(8)9)1-3(6)7/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H30FN3O10
Molecular Weight 635.6
AlogP 5.54
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 98.78
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 3.2-21.9 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 3 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3-48.6 - - -
Mus musculus
- 19.86 - - -

Target Conservation

Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976
Protein: Vascular endothelial growth factor receptor 2
Description: Vascular endothelial growth factor receptor 2
Organism : Homo sapiens
P35968 ENSG00000128052

Cross References

Resources Reference
ChEBI 72319
ChEMBL CHEMBL2103868
FDA SRS DR7ST46X58
PubChem 25102846
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