Structure

InChI Key OGJPXUAPXNRGGI-UHFFFAOYSA-N
Smiles CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
InChI
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18FN3O3
Molecular Weight 319.34
AlogP 1.27
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 74.57
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA gyrase inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Aspergillus niger
- - - - 100-100
Bacillus
- - - - 100-100
Bacillus amyloliquefaciens
- - - - 84-89
Bacillus subtilis
- - - - 85-89
Cricetulus griseus
- - - - 97.94-99.94
Escherichia coli
- 90-600 - 0.09 100-220
Rhizoctonia bataticola
- - - - 100-100
Staphylococcus aureus
- - - - 78-86

Related Entries

Environmental Exposure

Countries
Croatia
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 100246
ChEMBL CHEMBL9
DrugBank DB01059
DrugCentral 1967
FDA SRS N0F8P22L1P
Human Metabolome Database HMDB0015192
KEGG C06687
PharmGKB PA450654
PubChem 4539
SureChEMBL SCHEMBL3473
ZINC ZINC000000003742