Cheminformatic Tools and Databases for Pharmacology

session 72811 - Total of 2 hits - Display   hits per page:

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
ELAFIBRANOR (has an active metabolite)

ELAFIBRANOR


ATC A05AX06

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

ORAL

Cmax 2.08 MICROMOLAR

Tmax 1.25 HOUR

VD 4731 LITER

PPB 99.7 PERCENT

Cl 50.0 LITER / HOUR

HT 70.2 HOUR

SOLUBILITY VERY SLIGHTLY SOLUBLE AT PH 7.5

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

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more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
M ELAFIBRANOR (is an active metabolite)

ELAFIBRANOR


ATC A05AX06

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

-

Cmax 5.35 MICROMOLAR

PPB 99.7 PERCENT

HT 15.4 HOUR

PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR)

-

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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