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
METOPROLOL

METOPROLOL


ATC C07AB02
ATC C07FB02
ATC C07CB02
ATC C07BB02
ATC C07BB52
ATC C07AB52
ATC C07FX03
ATC C07FB13
ATC C07FX05

CARDIOVASCULAR
ANTIHYPERTENSIVE
ANTIARRHYTHMIC
ANTIANGINAL
ADRENERGIC (BETA-1) BLOCKER
SYMPATHOLYTICS

ORAL INJECTION

Tmax 1 HOUR

F 50 PERCENT

VD 201.5 LITER (65 KILOGRAM)

PPB 12 PERCENT

Cl 50.7 LITER / HOUR (65 KILOGRAM)

HT 5 HOUR

SOLUBILITY VERY SOLUBLE IN WATER

BETA-1 ADRENERGIC RECEPTOR

BETA-1 ADRENERGIC RECEPTOR ANTAGONIST CHEMBL213 BETA-1 ADRENERGIC RECEPTOR P08588 BETA-1 ADRENERGIC RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ADRENERGIC RECEPTOREMA

ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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