Structure

InChI Key BMKDZUISNHGIBY-ZETCQYMHSA-N
Smiles C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
InChI
InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N4O4
Molecular Weight 268.27
AlogP -2.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 98.82
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 19.0

Bioactivity

Mechanism of Action Action Reference
DNA topoisomerase II inhibitor INHIBITOR EMA
Protein: DNA topoisomerase II

Description: DNA topoisomerase 2-alpha

Organism : Homo sapiens

P11388 ENSG00000131747
Protein: DNA topoisomerase II

Description: DNA topoisomerase 2-beta

Organism : Homo sapiens

Q02880 ENSG00000077097
Assay Description Organism Bioactivity Reference
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 30.8 %
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 %

Related Entries

Cross References

Resources Reference
ChEBI 50223
ChEMBL CHEMBL1738
DrugBank DB00380
DrugCentral 839
FDA SRS 048L81261F
Human Metabolome Database HMDB0014524
Guide to Pharmacology 7330
PharmGKB PA449259
PubChem 71384
SureChEMBL SCHEMBL18400
ZINC ZINC000087515509