e-Drug3D

2126

GEPOTIDACIN

INN
GEPOTIDACIN

cas 1075236-89-3

CLASS

ANTIINFECTIVES
TRIAZAACENAPHTHYLENE BACTERIAL TYPE II TOPOISOMERASE INHIBITOR
TREATMENT OF URINARY TRACT INFECTIONS (UUTI)

ROUTE (list)

ORAL

ATC code

J01XX13

PK parameters

F 45 PERCENT
VD 172.9 LITER
Cl 33.4 LITER / HOUR
PPB 33 PERCENT
t1/2 9.3 HOUR

Target

TARGET TYPE II TOPOISOMERASE (DNA GYRASE)
TOPOISOMERASE IV

PDB
6QTK (2.31A STRUCTURE OF GEPOTIDACIN WITH S.AUREUS DNA GYRASE AND DOUBLY NICKED DNA)

Download experimental 3D coordinates of JHN with added hydrogens

Download SDF file

(2R)-2-[[4-[[(3,4-Dihydro-2H-pyrano[2,3-c]pyridin-6-yl)methyl]amino]-1-piperidinyl]methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione

Formula:
C24H28N6O3

Calculated chemical properties:

MW 448.52
NB_atoms 33
XLogP 1.09
PSA 85.306
NB_HD 1
NB_HA 9
fsp3 0.50
Lipinski(0=no;1=yes) 1

FDA
NDA 218230 (pdf not found) INN (GEPOTIDACIN MESYLATE) BLUJEPA (GLAXOSMITHKLINE) APPROVAL= AP YEAR= 2025 NEWMOLECULARENTITY