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
NALTREXONE

NALTREXONE


ATC N07BB04
ATC A08AA62
ATC N02AA56

NERVOUS SYSTEM
NARCOTIC ANTAGONIST
OPIATE ANTAGONISTS
TREATMENT OF ALCOHOL DEPENDENCE

ORAL INTRAMUSCULAR

Cmax 2 NANOMOLAR

Tmax 2 HOUR

F 22 PERCENT

VD 1350 LITER

PPB 21 PERCENT

Cl 210 LITER / HOUR

HT 4 HOUR

SOLUBILITY INSOLUBLE IN WATER

MU-TYPE OPIOID RECEPTOR

OPIOID RECEPTORS MU/KAPPA/DELTA ANTAGONIST CHEMBL2095181 OPIOID RECEPTORS MU/KAPPA/DELTA P35372 MU-TYPE OPIOID RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OPIOID RECEPTORANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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