e-Drug3D

1701

M MISOPROSTOL

INN
MISOPROSTOL

cas 259218-79-6

CLASS

METABOLISM
ANTIULCERATIVE
PROSTAGLANDINS
SYNTHETIC PROSTAGLANDIN E1 ANALOG

ROUTE (list)

PK parameters

Tmax 0.2 HOUR
PPB 90 PERCENT
t1/2 0.5 HOUR

Target

TARGET PROSTAGLANDIN RECEPTOR

PDB
6M9T (CRYSTAL STRUCTURE OF EP3 RECEPTOR BOUND TO MISOPROSTOL-FA)

Download experimental 3D coordinates of J9P with added hydrogens

Prostaglandin E2 receptor EP3 subtype UNIPROT P43115 PTGER3

Download SDF file

Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E,16S)- (9CI)

Formula:
C21H36O5

Calculated chemical properties:

MW 367.49
NB_atoms 26
XLogP 2.53
PSA 93.125
NB_HD 2
NB_HA 5
fsp3 0.81
Lipinski(0=no;1=yes) 1

FDA
-