LENVATINIB

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Synonyms
Status
Molecule Category Free-form
ATC L01EX08
UNII EE083865G2
EPA CompTox DTXSID50194605

Structure

InChI Key WOSKHXYHFSIKNG-UHFFFAOYSA-N
Smiles COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
InChI
InChI=1S/C21H19ClN4O4/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/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19ClN4O4
Molecular Weight 426.86
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 39-51 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 10-35 - 1.5 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 0.7-22 2.1 - -
Enzyme Lyase
- - - 132.7 -
Other cytosolic protein
- 10 - - -
Unclassified protein
- 10-10 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.7-51 2.1 1.5-132.7 -

Cross References

Resources Reference
ChEBI 85994
ChEMBL CHEMBL1289601
DrugBank DB09078
DrugCentral 4942
FDA SRS EE083865G2
Guide to Pharmacology 7426
PDB LEV
PharmGKB PA166153472
PubChem 9823820
SureChEMBL SCHEMBL864638
ZINC ZINC000003816292
CONTENTS