LENVATINIB MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 3J78384F61
EPA CompTox DTXSID90235081
Parent Compound: LENVATINIB

Structure

InChI Key HWLFIUUAYLEFCT-UHFFFAOYSA-N
Smiles COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O.CS(=O)(=O)O
InChI
InChI=1S/C21H19ClN4O4.CH4O3S/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11;1-5(2,3)4/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23ClN4O7S
Molecular Weight 522.97
AlogP 4.07
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 115.57
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Vascular endothelial growth factor receptor inhibitor INHIBITOR DailyMed

Target Conservation

Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 1
Organism : Homo sapiens
P17948 ENSG00000102755
Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 3
Organism : Homo sapiens
P35916 ENSG00000037280
Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 2
Organism : Homo sapiens
P35968 ENSG00000128052

Cross References

Resources Reference
ChEBI 85995
ChEMBL CHEMBL2105704
FDA SRS 3J78384F61
PubChem 11237762
SureChEMBL SCHEMBL865174
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