e-Drug3D

2112

CEFTOBIPROLE

INN
CEFTOBIPROLE MEDOCARIL

cas 209467-52-7

CLASS

ANTIINFECTIVES
CEPHALOSPORIN ANTIBACTERIAL
TREATMENT OF STAPHYLOCOCCUS AUREUS BLOODSTREAM INFECTIONS
INHIBITION OF BACTERIAL CELL WALL SYNTHESIS
INHIBITION OF TRANSPEPTIDASE ACTIVITY

ROUTE (list)

ATC code

J01DI01

PK parameters

Cmax 61.7 MICROMOLAR
VD 18 LITER
Cl 4.98 LITER / HOUR
PPB 16 PERCENT
t1/2 3.3 HOUR

Target

TARGET PENICILLIN-BINDING PROTEINS (PBPS)

PDB
6VJE (CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PENICILLIN-BINDING PROTEIN 3 (PBP3) COMPLEXED WITH CEFTOBIPROLE)

Ligand code = RB6 (link to the list of PDB complexes)

Download experimental 3D coordinates of RB6 with added hydrogens

DrugCentral

MecA UNIPROT Q7DHH4

Download SDF file

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[(E)-[(3R)-2-oxo[1,3-bipyrrolidin]-3-ylidene]methyl]-, (6R,7R)- (ACI)

Formula:
C20H22N8O6S2

Calculated chemical properties:

MW 533.59
NB_atoms 36
XLogP -2.78
PSA 183.266
NB_HD 5
NB_HA 14
fsp3 0.45
Lipinski(0=no;1=yes) 0

FDA
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