e-Drug3D
1700
cas 23981-47-7
CLASS
MUSCULO-SKELETAL
ANTIINFLAMMATORY
NSAID
ANALGESIC
ANTIPYRETIC
ROUTE (list)
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ATC code
M01AX01
PK parameters
Tmax 2.5 HOUR
VD 53.4 LITER
Cl 1.26 LITER / HOUR
PPB 99 PERCENT
t1/2 26.2 HOUR
TARGET PROSTAGLANDIN G/H SYNTHASE 1
PROSTAGLANDIN G/H SYNTHASE 2
PROSTAGLANDIN G/H SYNTHASE 2
PDB
6U5A (CRYSTAL STRUCTURE OF EQUINE SERUM ALBUMIN COMPLEX WITH 6-MNA)
Ligand code = PWY (link to the list of PDB complexes)
Download experimental 3D coordinates of PWY with added hydrogens
Prostaglandin G,H synthase 2 UNIPROT P35354 PTGS2
Formula:
C13H12O3
Calculated chemical properties:
MW 215.22
NB_atoms 16
XLogP 1.14
PSA 46.758
NB_HD 0
NB_HA 3
fsp3 0.15
Lipinski(0=no;1=yes) 1
NB_atoms 16
XLogP 1.14
PSA 46.758
NB_HD 0
NB_HA 3
fsp3 0.15
Lipinski(0=no;1=yes) 1
FDA
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