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

Related Entries

Scaffolds

Parent

Adverse Reactions

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