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
LABETALOL

LABETALOL


ATC C07AG01
ATC C07CG01
ATC C07BG01

CARDIOVASCULAR
ANTIHYPERTENSIVE
ANTIANGINAL
ADRENERGIC ALPHA ANTAGONISTS
ADRENERGIC BETA ANTAGONISTS
SYMPATHOLYTICS

INJECTION ORAL INTRAVENOUS

Tmax 1.5 HOUR

F 25 PERCENT

VD 312 LITER (65 KILOGRAM)

PPB 50 PERCENT

Cl 128 LITER / HOUR (65 KILOGRAM)

HT 7 HOUR

SOLUBILITY SOLUBLE IN WATER

ALPHA-1 ADRENERGIC RECEPTOR
BETA ADRENERGIC RECEPTOR

ADRENERGIC RECEPTOR ANTAGONIST CHEMBL2331074 ADRENERGIC RECEPTOR P07550 BETA-2 ADRENERGIC RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ADRENERGIC RECEPTORANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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