AMUVATINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category UNKNOWN
UNII SO9S6QZB4R
EPA CompTox DTXSID50234176

Structure

InChI Key FOFDIMHVKGYHRU-UHFFFAOYSA-N
Smiles S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1
InChI
InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21N5O3S
Molecular Weight 447.52
AlogP 3.3
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 75.89
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Bioactivity

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed Other PubMed
Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976
Protein: Stem cell growth factor receptor
Description: Mast/stem cell growth factor receptor Kit
Organism : Homo sapiens
P10721 ENSG00000157404
Protein: Platelet-derived growth factor receptor alpha
Description: Platelet-derived growth factor receptor alpha
Organism : Homo sapiens
P16234 ENSG00000134853
Protein: Tyrosine-protein kinase receptor FLT3
Description: Receptor-type tyrosine-protein kinase FLT3
Organism : Homo sapiens
P36888 ENSG00000122025
Assay Description Organism Bioactivity Reference
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 89.4 %
Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging Homo sapiens 20.0 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 29.59 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 0.5456 %
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 -0.05 % 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 -0.15 % 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 -0.05 % 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 -0.15 %

Cross References

Resources Reference
ChEBI 91389
ChEMBL CHEMBL2103851
DrugBank DB12742
FDA SRS SO9S6QZB4R
Guide to Pharmacology 7932
PubChem 11282283
SureChEMBL SCHEMBL93976
ZINC ZINC000034951302
CONTENTS