ENOXACIN

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Trade Names
Synonyms
Status
Molecule Category UNKNOWN
ATC J01MA04
UNII 325OGW249P
EPA CompTox DTXSID5022984

Structure

InChI Key IDYZIJYBMGIQMJ-UHFFFAOYSA-N
Smiles CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChI
InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17FN4O3
Molecular Weight 320.32
AlogP 0.66
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 87.46
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 23.0

Bioactivity

Mechanism of Action Action Reference
DNA gyrase inhibitor INHIBITOR PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 10000 - - -
Enzyme Isomerase
- 14000 - - -
Other nuclear protein
- - 94 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 111
Transporter Primary active transporter F-type and V-type ATPases V-type ATPase
- 10000 - - -
Assay Description Organism Bioactivity Reference
Inhibitory concentration in supercoiling inhibition Escherichia coli DNA gyrase assay Escherichia coli 28.0 ug.mL-1
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 111.11 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 89.58 %
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 -14.27 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 7.669 %
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 %
Enhancement of His6-tagged TRBP (unknown origin) expressed in Escherichia coli BL21(DE3) binding to 32P-labeled Let7 precursor RNA assessed as TRBP Kd at 30 uM incubated for 60 mins by liquid scintillation counting method (Rvb = 221 nM) Homo sapiens 94.0 nM

Related Entries

Cross References

Resources Reference
ChEBI 157175
ChEMBL CHEMBL826
DrugBank DB00467
DrugCentral 1013
FDA SRS 325OGW249P
Human Metabolome Database HMDB0014610
Guide to Pharmacology 8882
KEGG C06979
PharmGKB PA449462
PubChem 3229
SureChEMBL SCHEMBL33963
ZINC ZINC000019594549
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