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
SIMVASTATIN (has an active metabolite)

SIMVASTATIN


ATC C10AA01
ATC C10BX01
ATC C10BA02
ATC C10BA04
ATC C10BX04
ATC A10BH51

CARDIOVASCULAR
HYPOCHOLESTEROLEMIC
ANTILIPEMIC AGENTS
HYDROXYMETHYLGLUTARYL-COA (HMG-COA) REDUCTASE INHIBITORS
STATIN

ORAL

Tmax 4 HOUR

F 5 PERCENT

PPB 95 PERCENT

HT 4.5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE (HMG-COA)

HMG-COA REDUCTASE INHIBITOR CHEMBL402 HMG-COA REDUCTASE P04035 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE HOMO SAPIENS ENZYME REDUCTASEEMA

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