GEMIFLOXACIN MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII X4S9F8RL01
EPA CompTox DTXSID7045948
Parent Compound: GEMIFLOXACIN

Structure

InChI Key JIYMVSQRGZEYAX-CWUUNJJBSA-N
Smiles CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O
InChI
InChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24FN5O7S
Molecular Weight 485.49
AlogP 0.97
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 123.04
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
DNA gyrase inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102.71-108.78
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 102.71-108.78

Cross References

Resources Reference
ChEBI 53749
ChEMBL CHEMBL1200621
FDA SRS X4S9F8RL01
KEGG D08012
PubChem 9588170
SureChEMBL SCHEMBL136827
ZINC ZINC22059930
CONTENTS