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
CABERGOLINE

CABERGOLINE


ATC G02CB03
ATC N04BC06

NERVOUS SYSTEM
PROLACTIN SECRETION INHIBITOR
ANTIPARKINSON AGENTS
DOPAMINE AGONISTS

ORAL

Cmax 0.11 NANOMOLAR

Tmax 2.5 HOUR

VD 18285 LITER (EQN)

PPB 41 PERCENT

Cl 192 LITER / HOUR

HT 66 HOUR

SOLUBILITY INSOLUBLE IN WATER

D(2) DOPAMINE RECEPTOR

5-HYDROXYTRYPTAMINE RECEPTOR 1A P08908 5-HYDROXYTRYPTAMINE RECEPTOR 1A HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR SEROTONIN RECEPTOREMA

ANSM (in French)

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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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