Structure

InChI Key GYDJEQRTZSCIOI-LJGSYFOKSA-N
Smiles NC[C@H]1CC[C@H](C(=O)O)CC1
InChI
InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NO2
Molecular Weight 157.21
AlogP 0.84
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 11.0

Bioactivity

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

Description: Plasminogen

Organism : Homo sapiens

P00747 ENSG00000122194
Assay Description Organism Bioactivity Reference
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation at 20 uM after 45 mins by spectrophotometric analysis relative to control Mus musculus 55.0 %
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 81.79 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 102.32 %
Inhibition of plasmin (unknown origin) at 100 uM after 18 hrs by arianor mahogany dye-based fibrin plate assay relative to control Homo sapiens 9.5 %
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 2.46 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 11.49 %
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 0.02 % 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 0.02 %

Related Entries

Cross References

Resources Reference
ChEBI 48669
ChEMBL CHEMBL877
DrugBank DB00302
DrugCentral 2713
FDA SRS 6T84R30KC1
Human Metabolome Database HMDB0014447
Guide to Pharmacology 6573
KEGG C12535
PDB AMH
SureChEMBL SCHEMBL16974
ZINC ZINC000100071256