GEMIFLOXACIN MESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: Salt
UNII: X4S9F8RL01
Parent Compound: GEMIFLOXACIN

Structure
InChI Key JIYMVSQRGZEYAX-CWUUNJJBSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR DNA gyrase 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
- - - - 103
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 73200 - - -

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
20.51
Immune system disorders
17.95
General disorders and administration site conditions
15.38
Respiratory, thoracic and mediastinal disorders
10.26
Gastrointestinal disorders
7.69
Cardiac disorders
5.13
Infections and infestations
5.13
Nervous system disorders
5.13
Social circumstances
5.13
Investigations
2.56
Metabolism and nutrition disorders
2.56
Vascular disorders
2.56

Cross References

Resources Reference
ChEBI 53749
ChEMBL CHEMBL1200621
EPA CompTox DTXSID7045948
FDA SRS X4S9F8RL01
KEGG D08012
PubChem 9588170
SureChEMBL SCHEMBL136827
ZINC ZINC22059930
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