SAVOLITINIB

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Synonyms
Status
Molecule Category Free-form
UNII 2A2DA6857R

Structure

InChI Key XYDNMOZJKOGZLS-NSHDSACASA-N
Smiles C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21
InChI
InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15N9
Molecular Weight 345.37
AlogP 1.88
Hydrogen Bond Acceptor 9.0
Number of Rotational Bond 3.0
Polar Surface Area 91.61
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 1.995-676.08 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.995-676.08 - - -
Mus musculus
- - - - 84.7

Target Conservation

Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3334567
DrugBank DB12048
FDA SRS 2A2DA6857R
Guide to Pharmacology 9918
PDB V0L
PubChem 68289010
SureChEMBL SCHEMBL12489208
ZINC ZINC000149738712
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