SAVOLITINIB

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Synonyms
Status
Molecule Category UNKNOWN
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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 91.61
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 26.0

Bioactivity

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed PubMed
Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 2-676 - - -
Assay Description Organism Bioactivity Reference
Inhibition of c-Met (unknown origin) using Poly E4Y substrate and ATP incubated for 45 mins by fluorescence polarization assay Homo sapiens 5.0 nM
Inhibition of c-Met autophosphorylation in human NCI-H441 cells for 1 hr by ELISA Homo sapiens 3.0 nM
Antiproliferative activity against human NCI-H441 cells assessed as HGF-induced proliferation after 72 hrs by MTT assay Homo sapiens 6.0 nM
Inhibition of c-Met autophosphorylation in mouse xenografted with human NCI-H441 cells at 3 mg/kg, po administered as single doss after 6 hrs by ELISA method Mus musculus 84.7 %
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 206.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 12.62 %
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay Homo sapiens 1.995 nM
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells using poly (Glu,Tyr) as substrate measured after 60 mins by ADP-Glo kinase assay Homo sapiens 2.512 nM
Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cells using poly (Glu,Tyr) as substrate measured after 60 mins by ADP-Glo kinase assay Homo sapiens 676.08 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 30.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.19 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.19 %

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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