Structure

InChI Key GSDSWSVVBLHKDQ-UHFFFAOYSA-N
Smiles CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChI
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20FN3O4
Molecular Weight 361.37
AlogP 1.54
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 75.01
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA gyrase inhibitor INHIBITOR DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlamydia trachomatis
- 666 - - -
Cricetulus griseus
- - - - 65.85-89.51
Homo sapiens
- - - - -8.2-24.5

Related Entries

Environmental Exposure

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 7731
ChEMBL CHEMBL4
DrugBank DB01165
DrugCentral 1981
FDA SRS A4P49JAZ9H
Human Metabolome Database HMDB0015296
Guide to Pharmacology 10918
KEGG C07321
PDB LFX
PharmGKB PA450684
PubChem 4583
SureChEMBL SCHEMBL24373
ZINC ZINC00538273