AVIBACTAM

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Synonyms
Status
Molecule Category UNKNOWN
UNII 06MFO7817I

Structure

InChI Key NDCUAPJVLWFHHB-UHNVWZDZSA-N
Smiles NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
InChI
InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11N3O6S
Molecular Weight 265.25
AlogP -1.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 130.24
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Inhibition of beta-lactamase SHV-4 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation None 3.0 nM
Inhibition of beta-lactamase KPC-2 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation None 170.0 nM
Inhibition of beta-lactamase CTX-M-15 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation None 5.0 nM
Inhibition of beta-lactamase TEM- 1 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation None 8.0 nM
Inhibition of Enterobacter cloacae beta-lactamase P99 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation Enterobacter cloacae 100.0 nM
Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation Pseudomonas aeruginosa 128.0 nM
Inhibition of beta-lactamase TEM-1 after 5 seconds incubation with nitrocefin substrate by spectrophotometry None 260.0 nM
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 at 1.5 uM using nitrocefin substrate pre-incubated for 5 mins before substrate addition Klebsiella pneumoniae 50.0 %
Inhibition of bacterial KPC-2 using imipenem as substrate preincubated for 15 mins followed by susbtrate addition and measured after 10 mins by spectrophotometric method Bacteria 60.0 nM
Inhibition of bacterial AmpC using nitrocefin as substrate preincubated for 15 mins followed by susbtrate addition and measured after 10 mins by spectrophotometric method Bacteria 16.0 nM
Inhibition of bacterial OXA-48 using nitrocefin as substrate preincubated for 15 mins followed by susbtrate addition and measured after 10 mins by spectrophotometric method Bacteria 550.0 nM
Inhibition of bacterial SHV-5 using cefotaxime as substrate preincubated for 15 mins followed by susbtrate addition and measured after 10 mins by spectrophotometric method Bacteria 13.0 nM
Inhibition of bacterial CTX-M-15 using cefotaxime as substrate preincubated for 15 mins followed by susbtrate addition and measured after 10 mins by spectrophotometric method Bacteria 3.0 nM
Inhibition of bacterial CMY-2 using nitrocefin as substrate preincubated for 15 mins followed by susbtrate addition and measured after 10 mins by spectrophotometric method Bacteria 7.0 nM
Inhibition of bacterial OXA-1 using nitrocefin as substrate preincubated for 15 mins followed by susbtrate addition and measured after 10 mins by spectrophotometric method Bacteria 40.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 12.38 %
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 -0.08 %
Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured every 10 secs for 10 mins by spectrophotometric analysis Escherichia coli 11.0 nM
Inhibition of recombinant Escherichia coli OXA-48 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured every 10 secs for 10 mins by spectrophotometric analysis Escherichia coli 27.0 nM
Inhibition of recombinant Escherichia coli CTX-M-14 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 secs for 10 mins by spectrophotometrically analysis Escherichia coli 0.41 nM
Inhibition of recombinant Escherichia coli TEM-10 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 secs for 10 mins by spectrophotometrically analysis Escherichia coli 1.4 nM
Inhibition of recombinant Escherichia coli SHV-12 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 secs for 10 mins by spectrophotometrically analysis Escherichia coli 0.27 nM
Inhibition of recombinant Escherichia coli AmpC using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 secs for 10 mins by spectrophotometrically analysis Escherichia coli 10.0 nM
Inhibition of Acinetobacter baumannii OXA-48 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 secs for 10 mins by spectrophotometrically analysis Acinetobacter baumannii 27.0 nM
Inhibition of beta lactamase AmpC in Enterobacter cloacae assessed as decrease in enzyme activity using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins by fluorescence plate reader analysis Enterobacter cloacae 8.0 nM
Inhibition of beta lactamase CTXM-15 in Enterobacter cloacae assessed as decrease in enzyme activity using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins by fluorescence plate reader analysis Enterobacter cloacae 1.0 nM
Inhibition of beta lactamase TEM-1 in Enterobacter cloacae assessed as decrease in enzyme activity using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins by fluorescence plate reader analysis Enterobacter cloacae 5.0 nM
Inhibition of beta lactamase OXA-48 in Enterobacter cloacae assessed as decrease in enzyme activity using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins by fluorescence plate reader analysis Enterobacter cloacae 252.0 nM
Inhibition of beta lactamase KPC-2 in Enterobacter cloacae assessed as decrease in enzyme activity using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins by fluorescence plate reader analysis Enterobacter cloacae 8.0 nM
Inhibition of beta lactamase TEM-1 in Escherichia coli assessed as decrease in enzyme activity using nitrocefin as chromogenic substrate incubated for 10 mins by fluorescence plate reader analysis Escherichia coli 50.0 nM
Inhibition of beta lactamase TEM-1 in Escherichia coli assessed as decrease in enzyme activity using nitrocefin as chromogenic substrate incubated for 60 mins by fluorescence plate reader analysis Escherichia coli 13.0 nM
Inhibition of beta lactamase AmpC in Pseudomonas aeruginosa assessed as decrease in enzyme activity using nitrocefin as chromogenic substrate incubated for 60 mins by fluorescence plate reader analysis Pseudomonas aeruginosa 520.0 nM
Inhibition of beta lactamase OXA-48 in Klebsiella pneumoniae assessed as decrease in enzyme activity using nitrocefin as chromogenic substrate incubated for 60 mins by fluorescence plate reader analysis Klebsiella pneumoniae 880.0 nM
Inhibition of bacterial Beta-lactamase KPC-2 (29 - 289) (unknown origin) expressed in Escherichia coli Transetta (DE3) Bacteria 3.7 nM
Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3) Bacteria 1.9 nM
Inhibition of bacterial Beta-lactamase AmpC (20 - 377) (unknown origin) expressed in Escherichia coli Transetta (DE3) Bacteria 24.0 nM
Inhibition of bacterial Beta-lactamase OXA-48 (1 - 265) (unknown origin) expressed in Escherichia coli Transetta (DE3) Bacteria 170.0 nM
Inhibition of bacterial Beta-lactamase SFH-1 (3 - 234) expressed in Escherichia coli Transetta (DE3) Bacteria 25.0 nM

Related Entries

Cross References

Resources Reference
ChEBI 85984
ChEMBL CHEMBL1689063
DrugBank DB09060
DrugCentral 4946
FDA SRS 06MFO7817I
Guide to Pharmacology 10761
PDB FYG
PubChem 9835049
SureChEMBL SCHEMBL1666807
ZINC ZINC000009302239
CONTENTS