TEDIZOLID

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Synonyms
Status
Molecule Category Free-form
ATC J01XX11
UNII 97HLQ82NGL
EPA CompTox DTXSID10234975

Structure

InChI Key XFALPSLJIHVRKE-GFCCVEGCSA-N
Smiles Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1
InChI
InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15FN6O3
Molecular Weight 370.34
AlogP 1.4
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 106.26
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Bioactivity

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR FDA PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 5700 - - -
Assay Description Organism Bioactivity Reference
Antimicrobial activity against linezolid-resistant Staphylococcus aureus assessed as inhibition of microbial growth at 0.5 ug/ml by CLSI method Staphylococcus aureus 100.0 %
Antimicrobial activity against oxacillin-resistant Staphylococcus aureus assessed as inhibition of microbial growth at =< 0.25 ug/ml by CLSI method Staphylococcus aureus 70.0 %
Antimicrobial activity against oxacillin-resistant Staphylococcus aureus assessed as inhibition of microbial growth at 0.5 ug/ml by CLSI method Staphylococcus aureus 100.0 %
Antimicrobial activity against linezolid-susceptible Staphylococcus aureus assessed as inhibition of microbial growth at =< 0.25 ug/ml by CLSI method Staphylococcus aureus 83.1 %
Antimicrobial activity against linezolid-susceptible Staphylococcus aureus assessed as inhibition of microbial growth at 0.5 ug/ml by CLSI method Staphylococcus aureus 100.0 %
Antimicrobial activity against oxacillin-susceptible Staphylococcus aureus assessed as inhibition of microbial growth at =< 0.25 ug/ml by CLSI method Staphylococcus aureus 99.0 %
Antimicrobial activity against oxacillin-susceptible Staphylococcus aureus assessed as inhibition of microbial growth at 0.5 ug/ml by CLSI method Staphylococcus aureus 100.0 %
Antimicrobial activity against linezolid-susceptible coagulase-negative Staphylococcus assessed as inhibition of microbial growth at =< 0.25 ug/ml by CLSI method Staphylococcus 99.5 %
Antimicrobial activity against linezolid-susceptible coagulase-negative Staphylococcus assessed as inhibition of microbial growth at 0.5 ug/ml by CLSI method Staphylococcus 100.0 %
Antimicrobial activity against oxacillin-susceptible coagulase-negative Staphylococcus aureus assessed as inhibition of microbial growth at =< 0.25 ug/ml by CLSI method Staphylococcus aureus 100.0 %
Antimicrobial activity against oxacillin-resistant coagulase-negative Staphylococcus aureus assessed as inhibition of microbial growth at =< 0.25 ug/ml by CLSI method Staphylococcus aureus 99.4 %
Antimicrobial activity against oxacillin-resistant coagulase-negative Staphylococcus aureus assessed as inhibition of microbial growth at 0.5 ug/ml by CLSI method Staphylococcus aureus 100.0 %
Antimicrobial activity against linezolid-resistant coagulase-negative Staphylococcus assessed as inhibition of microbial growth at =< 0.25 ug/ml by CLSI method Staphylococcus 20.0 %
Antimicrobial activity against linezolid-resistant coagulase-negative Staphylococcus assessed as inhibition of microbial growth at 0.5 ug/ml by CLSI method Staphylococcus 20.0 %
Antimicrobial activity against linezolid-resistant coagulase-negative Staphylococcus assessed as inhibition of microbial growth at 1 ug/ml by CLSI method Staphylococcus 20.0 %
Antimicrobial activity against linezolid-resistant coagulase-negative Staphylococcus assessed as inhibition of microbial growth at 2 ug/ml by CLSI method Staphylococcus 80.0 %
Antimicrobial activity against linezolid-resistant coagulase-negative Staphylococcus assessed as inhibition of microbial growth at 4 ug/ml by CLSI method Staphylococcus 100.0 %
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 11.24 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 14.33 %
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 0.01 %

Cross References

Resources Reference
ChEBI 82717
ChEMBL CHEMBL1257051
DrugBank DB14569
FDA SRS 97HLQ82NGL
Guide to Pharmacology 10865
PDB U7V
PubChem 11234049
SureChEMBL SCHEMBL440398
ZINC ZINC000043100956
CONTENTS