Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01MA09
UNII Q90AGA787L
EPA CompTox DTXSID9023590

Structure

InChI Key DZZWHBIBMUVIIW-DTORHVGOSA-N
Smiles C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1
InChI
InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22F2N4O3
Molecular Weight 392.41
AlogP 2.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 100.59
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA gyrase inhibitor INHIBITOR FDA

Related Entries

Cross References

Resources Reference
ChEBI 9212
ChEMBL CHEMBL850
DrugBank DB01208
DrugCentral 2466
FDA SRS Q90AGA787L
Human Metabolome Database HMDB0015339
Guide to Pharmacology 10860
KEGG C07662
PharmGKB PA451472
PubChem 60464
SureChEMBL SCHEMBL41311
ZINC ZINC000000538362