e-Drug3D

2118

M ELAFIBRANOR

INN
ELAFIBRANOR

cas 1000334-85-9

CLASS

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

ROUTE (list)

ATC code

A05AX06

PK parameters

Cmax 5.35 MICROMOLAR
PPB 99.7 PERCENT
t1/2 15.4 HOUR

Target

TARGET PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR)

DrugCentral

Download SDF file

Propanoic acid, 2-[2,6-dimethyl-4-[3-[4-(methylthio)phenyl]-3-oxopropyl]phenoxy]-2-methyl- (ACI)

Formula:
C22H26O4S

Calculated chemical properties:

MW 385.49
NB_atoms 27
XLogP 3.75
PSA 60.393
NB_HD 0
NB_HA 4
fsp3 0.36
Lipinski(0=no;1=yes) 1

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

2115

ELAFIBRANOR

INN
ELAFIBRANOR

(has an active metabolite)

cas 923978-27-2

CLASS

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

ROUTE (list)

ORAL

ATC code

A05AX06

PK parameters

Tmax 1.25 HOUR
Cmax 2.08 MICROMOLAR
VD 4731 LITER
Cl 50.0 LITER / HOUR
PPB 99.7 PERCENT
t1/2 70.2 HOUR

Solubility

VERY SLIGHTLY SOLUBLE AT PH 7.5

Target

TARGET PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR)

PDB
8HUQ (X-RAY STRUCTURE OF HUMAN PPAR ALPHA LIGAND BINDING DOMAIN-ELAFIBRANOR-SRC1 COACTIVATOR PEPTIDE CO-CRYSTALS OBTAINED BY SOAKING)

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

Download experimental 3D coordinates of MUO with added hydrogens

DrugCentral

Download SDF file

Propanoic acid, 2-[2,6-dimethyl-4-[(1E)-3-[4-(methylthio)phenyl]-3-oxo-1-propen-1-yl]phenoxy]-2-methyl-

Formula:
C22H24O4S

Calculated chemical properties:

MW 383.47
NB_atoms 27
XLogP 3.83
PSA 60.393
NB_HD 0
NB_HA 4
fsp3 0.27
Lipinski(0=no;1=yes) 1

FDA
NDA 218860 (label) INN (ELAFIBRANOR) IQIRVO (IPSEN) APPROVAL= AP YEAR= 2024 NEWMOLECULARENTITY