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
METHYLNALTREXONE

METHYLNALTREXONE


ATC N07BB04
ATC A06AH01
ATC A08AA62
ATC N02AA56

NERVOUS SYSTEM
NARCOTIC ANTAGONISTS
OPIATE ANTAGONISTS
TREATMENT OF OPIOID-INDUCED CONSTIPATION
PERIPHERALLY-ACTING MU-OPIOID RECEPTOR ANTAGONIST
NOT CROSS BBB (RESTRICTED)

SUBCUTANEOUS ORAL

Cmax 1.10 MICROMOLAR (0.5 MILLIGRAM/KILLOGRAM)

VD 71.5 LITER (65 KILOGRAM)

PPB 13 PERCENT

Cl 6.1 LITER / HOUR (EQN)

HT 8 HOUR

DELTA-TYPE OPIOID RECEPTOR
KAPPA-TYPE OPIOID RECEPTOR
MU-TYPE OPIOID RECEPTOR

MU OPIOID RECEPTOR ANTAGONIST CHEMBL233 MU OPIOID RECEPTOR P35372 MU-TYPE OPIOID RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OPIOID RECEPTORANSM (in French)

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