Difloxacin
AlkaPlorer ID: AK088617
Synonym: None
IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Structure
SMILES: CN1CCN(C2=CC3=C(C=C2F)C(=O)C(C(=O)O)=CN3C2=CC=C(F)C=C2)CC1
InChI: InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
InChIKey: NOCJXYPHIIZEHN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 399.3970000000001
TPSA？: 65.78
MolLogP？: 2.718900000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter | Acinetobacter | MIC | 0.2 | ug.mL-1 | 10.1021/jm00149a003 |
| Acinetobacter | Acinetobacter | MIC | 0.78 | ug.mL-1 | 10.1021/jm00386a011 |
| Acinetobacter calcoaceticus | Acinetobacter calcoaceticus | MIC | 5.0 | ug.mL-1 | 10.1021/np300773x |
| Enterobacter | Enterobacter | MIC | 0.4 | ug.mL-1 | 10.1021/jm00400a017 |
| Enterobacter cloacae | Enterobacter cloacae | MIC | 0.8 | ug.mL-1 | 10.1021/jm00400a017 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 3.1 | ug.mL-1 | 10.1021/jm00400a017 |
| Enterococcus faecium | Enterococcus faecium | MIC | 1.56 | ug.mL-1 | 10.1021/jm00149a003 |
| Enterococcus faecium | Enterococcus faecium | MIC | 1.56 | ug.mL-1 | 10.1021/jm00386a011 |
| Escherichia coli | DNA gyrase | Concentration | 1.0 | ug ml-1 | 10.1021/jm00400a017 |
| Escherichia coli | DNA gyrase | Concentration | 5.5 | ug ml-1 | 10.1021/jm00400a017 |
| Escherichia coli | Escherichia coli | MIC | 0.05 | ug.mL-1 | 10.1021/jm00400a017 |
| Escherichia coli | Escherichia coli | MIC | 0.2 | ug.mL-1 | 10.1021/jm00149a003 |
| Escherichia coli | Escherichia coli | MIC | 0.2 | ug.mL-1 | 10.1021/jm00386a011 |
| Escherichia coli | Escherichia coli | MIC | 0.39 | ug.mL-1 | 10.1021/jm00097a004 |
| Escherichia coli | Escherichia coli | MIC | 0.4 | ug.mL-1 | 10.1021/jm00400a017 |
| Escherichia coli | Escherichia coli | MIC | 5.0 | ug.mL-1 | 10.1021/np300773x |
| Escherichia coli | Escherichia coli | pMIC | 4.0 | M l-1 | 10.1021/jm00105a020 |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 28183.8 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -2.23 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 12.28 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 3981.1 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 39810.7 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 31622.8 | nM | None |
| Homo sapiens | Multidrug resistance-associated protein 1 | Activity | nan | None | None |
| Homo sapiens | Prelamin-A/C | Potency | 17782.8 | nM | None |
| Klebsiella aerogenes | Klebsiella aerogenes | CMI | 0.19 | mg l-1 | 10.1016/s0960-894x(03)00544-4 |
| Klebsiella aerogenes | Klebsiella aerogenes | MIC | 0.78 | ug.mL-1 | 10.1021/jm00149a003 |
| Klebsiella aerogenes | Klebsiella aerogenes | MIC | 0.78 | ug.mL-1 | 10.1021/jm00386a011 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 0.1 | ug.mL-1 | 10.1021/jm00149a003 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 0.1 | ug.mL-1 | 10.1021/jm00386a011 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 0.4 | ug.mL-1 | 10.1021/jm00400a017 |
| Mus musculus | Mus musculus | ED50 | 1.6 | mg.kg-1 | 10.1021/jm00149a003 |
| Mus musculus | Mus musculus | ED50 | 3.1 | mg.kg-1 | 10.1021/jm00149a003 |
| Mus musculus | Mus musculus | PD50 | 2.0 | mg kg-1 | 10.1021/jm00400a017 |
| Mus musculus | Mus musculus | PD50 | 7.0 | mg kg-1 | 10.1021/jm00400a017 |
| Mus musculus | Mus musculus | PD50 | 13.0 | mg kg-1 | 10.1021/jm00400a017 |
| Mus musculus | Mus musculus | PD50 | 14.0 | mg kg-1 | 10.1021/jm00400a017 |
| Mus musculus | Mus musculus | PD50 | 16.0 | mg kg-1 | 10.1021/jm00400a017 |
| Mus musculus | Mus musculus | Permeability | nan | None | 10.1021/jm990968+ |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 6745.6 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 13459.1 | nM | None |
| Providencia rettgeri | Providencia rettgeri | MIC | 1.6 | ug.mL-1 | 10.1021/jm00400a017 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 0.78 | ug.mL-1 | 10.1021/jm00386a011 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 0.8 | ug.mL-1 | 10.1021/jm00400a017 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 1.56 | ug.mL-1 | 10.1021/jm00149a003 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 1.56 | ug.mL-1 | 10.1021/jm00386a011 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 0.015 | ug.mL-1 | 10.1128/aac.00600-06 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 0.03 | ug.mL-1 | 10.1128/aac.00600-06 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 0.06 | ug.mL-1 | 10.1128/aac.00600-06 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 0.25 | ug.mL-1 | 10.1128/aac.00600-06 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 0.5 | ug.mL-1 | 10.1128/aac.00600-06 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 1.0 | ug.mL-1 | 10.1128/aac.00600-06 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 2.0 | ug.mL-1 | 10.1128/aac.00600-06 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 4.0 | ug.mL-1 | 10.1128/aac.00600-06 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 16.0 | ug.mL-1 | 10.1128/aac.00600-06 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 38.55 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Hit score | 0.0587 | None | 10.1101/2020.04.21.054387 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.08 | % | 10.6019/CHEMBL4495565 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.195 | ug.mL-1 | 10.1021/jm00097a004 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.2 | ug.mL-1 | 10.1021/jm00149a003 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.2 | ug.mL-1 | 10.1021/jm00386a011 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.25 | ug.mL-1 | 10.1021/jm00125a022 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.4 | ug.mL-1 | 10.1021/jm00400a017 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1.6 | ug.mL-1 | 10.1021/jm00400a017 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/jm00125a022 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 0.39 | ug.mL-1 | 10.1021/jm00149a003 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 0.39 | ug.mL-1 | 10.1021/jm00386a011 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 1.6 | ug.mL-1 | 10.1021/jm00400a017 |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 1.56 | ug.mL-1 | 10.1021/jm00149a003 |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 1.56 | ug.mL-1 | 10.1021/jm00386a011 |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 1.6 | ug.mL-1 | 10.1021/jm00400a017 |
| Stutzerimonas stutzeri | Stutzerimonas stutzeri | MIC | 20.0 | ug.mL-1 | 10.1021/np300773x |
| None | NON-PROTEIN TARGET | MIC | 20.0 | ug.mL-1 | 10.1021/np300773x |
| None | No relevant target | pKa_A1 | 5.81 | None | 10.6019/CHEMBL3301361 |
| None | No relevant target | pKa_B1 | 7.39 | None | 10.6019/CHEMBL3301361 |
| None | No relevant target | Solubility | 100.0 | ug.mL-1 | 10.1016/j.bmc.2010.08.003 |