Trade Names
Synonyms
Status
Molecule Category Free-form
UNII D26OSN9Q4R
EPA CompTox DTXSID10175096

Structure

InChI Key FYMHQCNFKNMJAV-HOTGVXAUSA-N
Smiles N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChI
InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19FN4O4
Molecular Weight 398.39
AlogP 1.22
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 107.59
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
DNA gyrase inhibitor INHIBITOR FDA

Related Entries

Cross References

Resources Reference
ChEBI 85176
ChEMBL CHEMBL1908370
DrugBank DB09047
DrugCentral 4920
FDA SRS D26OSN9Q4R
Guide to Pharmacology 10809
PubChem 11567473
SureChEMBL SCHEMBL1002869
ZINC ZINC000003985346