e-Drug3D

1635

CEFAMANDOLE

INN
CEFAMANDOLE

(is an active metabolite)

cas 34444-01-4

CLASS

ANTIINFECTIVES
ANTIBACTERIAL
ANTIBIOTIC
CEPHALOSPORINS

ROUTE (list)

ATC code

J01DC03

PK parameters

VD 10.4 LITER (65 KILOGRAM)
Cl 14 LITER / HOUR (65 KILOGRAM)
PPB 75 PERCENT
t1/2 0.75 HOUR

Target

TARGET PENICILLIN-BINDING PROTEINS 1A/1B

PDB
3NY4 (CRYSTAL STRUCTURE OF BLAC-K73A BOUND WITH CEFAMANDOLE)

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

Download experimental 3D coordinates of SMX with added hydrogens

DrugCentral

Unknown

Download SDF file

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-

Formula:
C18H18N6O5S2

Calculated chemical properties:

MW 461.52
NB_atoms 31
XLogP -1.56
PSA 147.492
NB_HD 2
NB_HA 11
fsp3 0.33
Lipinski(0=no;1=yes) 0

FDA
-