Structure

InChI Key GSDSWSVVBLHKDQ-JTQLQIEISA-N
Smiles C[C@H]1COc2c(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)/t10-/m0/s1

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
DNA gyrase inhibitor INHIBITOR DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Acinetobacter baumannii
- - - - 10
Cricetulus griseus
- - - - 95.07-117.4
Escherichia coli
- 125 - - 10
Haemophilus influenzae
- - - - 10
Homo sapiens
- - - - -0.9-26
Klebsiella pneumoniae
- 125-250 - - 10
Mycobacterium tuberculosis
- 590-840 - - -
Mycobacterium tuberculosis H37Rv
- 800 - - -
Pseudomonas aeruginosa
- - - - 10
Staphylococcus aureus
- 125-250 - - 10-57.9
Staphylococcus epidermidis
- 250-250 - - -
Streptococcus pyogenes
- - - - 10

Related Entries

Cross References

Resources Reference
ChEBI 63598
ChEMBL CHEMBL33
DrugBank DB01137
DrugCentral 1569
FDA SRS RIX4E89Y14
Human Metabolome Database HMDB0001929
Guide to Pharmacology 10911
KEGG C07660
PDB LFX
PharmGKB PA450214
PubChem 3033924
SureChEMBL SCHEMBL15397
ZINC ZINC000000538273