e-Drug3D

2125

SELADELPAR

INN
SELADELPAR

cas 851528-79-5

CLASS

METABOLISM
PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR)-DELTA AGONIST
TREATMENT OF PRIMARY BILIARY CHOLANGITIS (PBC)

ROUTE (list)

ORAL

ATC code

A05AX07

PK parameters

Tmax 1.5 HOUR
VD 133.2 LITER
Cl 12 LITER / HOUR
PPB 99 PERCENT
t1/2 6 HOUR

Solubility

VERY SOLUBLE AT HIGH PH

Target

TARGET PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR)-DELTA

PDB
8HUO (X-RAY STRUCTURE OF HUMAN PPAR DELTA LIGAND BINDING DOMAIN-SELADELPAR CO-CRYSTALS OBTAINED BY CO-CRYSTALLIZATION)

Download experimental 3D coordinates of KKB with added hydrogens

Download SDF file

2-[4-[[(2R)-2-Ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]thio]-2-methylphenoxy]acetic acid

Formula:
C21H23F3O5S

Calculated chemical properties:

MW 443.46
NB_atoms 30
XLogP 3.72
PSA 63.922
NB_HD 0
NB_HA 5
fsp3 0.38
Lipinski(0=no;1=yes) 1

FDA
NDA 217899 (label) INN (SELADELPAR) LIVDELZI (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2024 NEWMOLECULARENTITY