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
SUVOREXANT

SUVOREXANT


ATC N05CM19

NERVOUS SYSTEM
TREATMENT OF INSOMNIA
OREXIN RECEPTOR ANTAGONIST

ORAL

Tmax 2 HOUR

F 82 PERCENT

VD 49 LITER

PPB 99 PERCENT

Cl 2.8 LITER / HOUR (EQN)

HT 12 HOUR

SOLUBILITY INSOLUBLE IN WATER

OREXIN RECEPTOR OX1R
OREXIN RECEPTOR OX2R

PDB OBSOLETE (- 4RNB CRYSTAL STRUCTURE OF THE HUMAN OX2 OREXIN RECEPTOR BOUND TO THE INSOMNIA DRUG SUVOREXANT)

LIGAND CODE = SUV (link to the list of PDB complexes)

Download experimental 3D coordinates of SUV with added hydrogens

OREXIN RECEPTOR ANTAGONIST CHEMBL3307226 OREXIN RECEPTOR O43613 OREXIN RECEPTOR TYPE 1 HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OREXIN RECEPTORANSM (in French)

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