Trade Names
Synonyms
Status
Molecule Category UNKNOWN
ATC A10BB31
UNII QGC8W08I6I
EPA CompTox DTXSID7020007

Structure

InChI Key VGZSUPCWNCWDAN-UHFFFAOYSA-N
Smiles CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChI
InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20N2O4S
Molecular Weight 324.4
AlogP 2.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 92.34
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Sulfonylurea receptor 1, Kir6.2 blocker BLOCKER PubMed PubMed Wikipedia
Protein: Sulfonylurea receptor 1, Kir6.2

Description: ATP-binding cassette sub-family C member 8

Organism : Homo sapiens

Q09428 ENSG00000006071
Protein: Sulfonylurea receptor 1, Kir6.2

Description: ATP-sensitive inward rectifier potassium channel 11

Organism : Homo sapiens

Q14654 ENSG00000187486
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 -2.16 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 15.64 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 9.27 %
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 0.06 % 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 -0.12 % 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 -0.12 % 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 0.06 %

Related Entries

Environmental Exposure

Countries
Vietnam

Cross References

Resources Reference
ChEBI 28052
ChEMBL CHEMBL1589
DrugBank DB00414
DrugCentral 57
FDA SRS QGC8W08I6I
Human Metabolome Database HMDB0014558
Guide to Pharmacology 6793
KEGG C06806
PharmGKB PA164777011
PubChem 1989
SureChEMBL SCHEMBL37620
ZINC ZINC000018067894