Structure

InChI Key XUBOMFCQGDBHNK-UHFFFAOYSA-N
Smiles COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChI
InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22FN3O4
Molecular Weight 375.4
AlogP 1.98
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 83.8
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
DNA gyrase inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 96.61-121.89
Escherichia coli
- 500-500 - - -
Homo sapiens
- - - - -97.9-84.7

Related Entries

Cross References

Resources Reference
ChEBI 5280
ChEMBL CHEMBL31
DrugBank DB01044
DrugCentral 1280
FDA SRS 81485Y3A9A
Human Metabolome Database HMDB0015178
Guide to Pharmacology 10816
KEGG C07661
PharmGKB PA449738
PubChem 5282384
SureChEMBL SCHEMBL22591
ZINC ZINC38197764