e-Drug3D

979

METHICILLIN

DISCONTINUED

INN
METHICILLIN

cas 61-32-5

CLASS

ANTIINFECTIVES
ANTIBACTERIAL
ANTIBIOTIC
PENICILLINS

ROUTE (list)

INJECTION

ATC code

J01CF03

PK parameters

VD 20.8 LITER (65 KILOGRAM)
Cl 25.7 LITER / HOUR (65 KILOGRAM)
PPB 57 PERCENT
t1/2 0.64 HOUR

Target

TARGET PENICILLIN-BINDING PROTEINS 1A/1B

PDB
3KP4 (STAPHYLOCOCCUS EPIDERMIDIS TCAR IN COMPLEX WITH METHICILLIN)

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

Download experimental 3D coordinates of MII with added hydrogens

DrugCentral

Penicillin-binding protein UNIPROT P72355 pbp4

Download SDF file

(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Formula:
C17H20N2O6S

Calculated chemical properties:

MW 379.41
NB_atoms 26
XLogP -0.39
PSA 108.374
NB_HD 1
NB_HA 8
fsp3 0.47
Lipinski(0=no;1=yes) 1

FDA
NDA 050117 (pdf not found) INN (METHICILLIN SODIUM) STAPHCILLIN (APOTHECON) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 061449 (pdf not found) INN (METHICILLIN SODIUM) STAPHCILLIN (APOTHECON) APPROVAL= AP YEAR= 1971 DISCONTINUED