e-Drug3D

1836

DELAFLOXACIN

INN
DELAFLOXACIN

cas 189279-58-1

CLASS

ANTIINFECTIVES
FLUOROQUINOLONE ANTIBACTERIAL
TREATMENT OF ACUTE BACTERIAL SKIN AND SKIN STRUCTURE INFECTIONS (ABSSSI)

ROUTE (list)

ORAL INTRAVENOUS

ATC code

J01MA23

PK parameters

F 58.8 PERCENT
Tmax 1 HOUR
VD 39 LITER
Cl 14.1 LITER / HOUR
PPB 84 PERCENT
t1/2 3.7 HOUR

Target

TARGET DNA GYRASE (TOPOISOMERASE II)
BACTERIAL TOPOISOMERASE IV

PDB
8C41 (HIGH RESOLUTION STRUCTURE OF THE STREPTOCOCCUS PNEUMONIAE TOPOISOMERASE IV-DNA COMPLEX WITH THE NOVEL FLUOROQUINOLONE DELAFLOXACIN)

Ligand code = TE9 (link to the list of PDB complexes)

Download experimental 3D coordinates of TE9 with added hydrogens

DrugCentral

Unknown

Download SDF file

3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-

Formula:
C18H12ClF3N4O4

Calculated chemical properties:

MW 439.76
NB_atoms 30
XLogP 0.58
PSA 114.481
NB_HD 3
NB_HA 8
fsp3 0.17
Lipinski(0=no;1=yes) 1

FDA
NDA 208610 (label) INN (DELAFLOXACIN MEGLUMINE) BAXDELA (MELINTA) APPROVAL= AP YEAR= 2017 NEWMOLECULARENTITY
NDA 208611 (label) INN (DELAFLOXACIN MEGLUMINE) BAXDELA (MELINTA) APPROVAL= AP YEAR= 2017