Cheminformatic Tools and Databases for Pharmacology

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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
PIOGLITAZONE

PIOGLITAZONE


ATC A10BG03
ATC A10BD09
ATC A10BD12
ATC A10BD06
ATC A10BD05

METABOLISM
ANTIDIABETIC
HYPOGLYCEMIC AGENTS
THAZOLIDINEDIONES
PPAR GAMMA AGONIST

ORAL

Tmax 2 HOUR

VD 41 LITER (65 KILOGRAM)

PPB 99 PERCENT

Cl 6 LITER / HOUR

HT 5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA

PDB 5Y2O (STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN-PIOGLITAZONE COMPLEX)

LIGAND CODE = 8N6 (link to the list of PDB complexes)

Download experimental 3D coordinates of 8N6 with added hydrogens

PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA AGONIST CHEMBL235 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA P37231 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1C NR1C3EMA

ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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