OSI-930

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Synonyms
Status
Molecule Category UNKNOWN
UNII G1PEG5Q9Y2

Structure

InChI Key FGTCROZDHDSNIO-UHFFFAOYSA-N
Smiles O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12
InChI
InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H16F3N3O2S
Molecular Weight 443.45
AlogP 6.06
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 63.25
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Bioactivity

Mechanism of Action Action Reference
Stem cell growth factor receptor inhibitor INHIBITOR PubMed PubMed
Protein: Stem cell growth factor receptor
Description: Mast/stem cell growth factor receptor Kit
Organism : Homo sapiens
P10721 ENSG00000157404
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - 24000 70-75
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 10-80 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 22 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 5-9 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- 41 - - -
Assay Description Organism Bioactivity Reference
Inhibition of KDR None 5.0 nM
Inhibition of c-Kit None 29.0 nM
Inhibition of LCK None 22.0 nM
Inhibition of c-Raf None 41.0 nM
Inhibition of c-Kit None 10.0 nM
Inhibition of VEGFR2 None 9.0 nM
Inhibition of human His-tagged CYP3A4 expressed in Escherichia coli TOPP3 using BFC as substrate at 100 uM after 30 mins in presence of NADPH and cytochrome b5 Homo sapiens 75.0 %
Inhibition of human His-tagged CYP3A4 expressed in Escherichia coli TOPP3 using BFC as substrate at 100 uM after 30 mins by spectrophotometry in presence of NADPH and cytochrome b5 relative to control Homo sapiens 70.0 %
Inhibition of N-terminal GST-tagged recombinant kit (unknown origin) using poly(Glu:Tyr) as substrate by ELISA-based method Homo sapiens 80.0 nM
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 388.0 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 100.4 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -7.23 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -3.377 %
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 1.04 % 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 0.67 % 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 1.04 % 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 0.67 %

Cross References

Resources Reference
ChEBI 91433
ChEMBL CHEMBL1614710
DrugBank DB05913
FDA SRS G1PEG5Q9Y2
Guide to Pharmacology 9383
PubChem 9868037
SureChEMBL SCHEMBL633719
ZINC ZINC000003962535
CONTENTS