Structure

InChI Key LCQLHJZYVOQKHU-VKHMYHEASA-N
Smiles NC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10N2O5
Molecular Weight 190.16
AlogP -1.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 129.72
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Bioactivity

Mechanism of Action Action Reference
Carbamoyl-phosphate synthase [ammonia], mitochondrial positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR DailyMed
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 7.18 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -4.06 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 8.602 %
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 -0.08 % 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 -0.08 %

Cross References

Resources Reference
ChEBI 71028
ChEMBL CHEMBL1201780
DrugBank DB06775
DrugCentral 3068
FDA SRS 5L0HB4V1EW
Human Metabolome Database HMDB0015673
Guide to Pharmacology 7458
KEGG C05829
PharmGKB PA165958402
PubChem 121396
SureChEMBL SCHEMBL373546
ZINC ZINC000001530283