Structure

InChI Key SLXKOJJOQWFEFD-UHFFFAOYSA-N
Smiles NCCCCCC(=O)O
InChI
InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NO2
Molecular Weight 131.18
AlogP 0.59
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 9.0

Metabolites Network

visNetwork

Bioactivity

Mechanism of Action Action Reference
Plasminogen inhibitor INHIBITOR DailyMed
Protein: Plasminogen

Description: Plasminogen

Organism : Homo sapiens

P00747 ENSG00000122194
Protein: Tissue-type plasminogen activator

Description: Tissue-type plasminogen activator

Organism : Homo sapiens

P00750 ENSG00000104368
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 40000 9000 - -
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 -7.52 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 7.08 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 13.2 %
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 0.04 % 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 0.01 % 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 0.04 % 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 0.01 %

Cross References

Resources Reference
ChEBI 57826
ChEMBL CHEMBL1046
DrugBank DB00513
DrugCentral 163
FDA SRS U6F3787206
Human Metabolome Database HMDB0001901
Guide to Pharmacology 6574
KEGG C02378
PDB ACA
PharmGKB PA164774947
PubChem 564
SureChEMBL SCHEMBL15293
ZINC ZINC000001529425