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
CLOFIBRATE DISCONTINUED (has an active metabolite)

CLOFIBRATE


ATC C10AB01

CARDIOVASCULAR
HYPOLIPIDEMIC
ANTICHOLESTEREMIC AGENTS
ANTILIPIDEMIC AGENTS
REDUCE THE VERY LOW-DENSITY LIPOPROTEIN FRACTION

ORAL PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR

PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AGONIST CHEMBL239 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA Q07869 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1C NR1C1EMA

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 CLOFIBRATE (is an active metabolite)

CLOFIBRATE


ATC C10AB01

CARDIOVASCULAR
HYPOLIPIDEMIC
ANTICHOLESTEREMIC AGENTS
ANTILIPIDEMIC AGENTS
REDUCE THE VERY LOW-DENSITY LIPOPROTEIN FRACTION

-

Cmax 932.8 MICROMOLAR

PPB 96 PERCENT

HT 20 HOUR

PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR

PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AGONIST CHEMBL239 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA Q07869 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1C NR1C1EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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