e-Drug3D

1873

VABORBACTAM

INN
VABORBACTAM

cas 1360457-46-0

CLASS

ANTIINFECTIVES
A BETA-LACTAMASE INHIBITOR
TREATMENT OF COMPLICATED URINARY TRACT INFECTIONS (CUTI) INCLUDING PYELONEPHRITIS

ROUTE (list)

INTRAVENOUS

ATC code

J01DH52

PK parameters

VD 18.6 LITER
Cl 10.9 LITER / HOUR
PPB 33 PERCENT
t1/2 1.68 HOUR

Target

TARGET BETA-LACTAMASE

PDB
4XUZ (STRUCTURE OF CTX-M-15 BOUND TO RPX-7009 AT 1.5 A)

Download experimental 3D coordinates of 4D6 with added hydrogens

beta-lactamase UNIPROT A8DS27

Download SDF file

1,2-Oxaborinane-6-acetic acid, 2-hydroxy-3-[[2-(2-thienyl)acetyl]amino]-, (3R,6S)-

Formula:
C12H16BNO5S

Calculated chemical properties:

MW 296.13
NB_atoms 20
XLogP -0.89
PSA 94.73
NB_HD 2
NB_HA 6
fsp3 0.50
Lipinski(0=no;1=yes) 1

FDA
NDA 209776 (pdf not found) INN (MEROPENEM ; VABORBACTAM) VABOMERE (REMPEX) APPROVAL= AP YEAR= 2017