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
FEBUXOSTAT

FEBUXOSTAT


ATC M04AA03

METABOLISM
ANTIGOUT
CHRONIC MANAGEMENT OF HYPERURICEMIA IN PATIENTS WITH GOUT
XANTHINE OXIDASE INHIBITOR
DECREASES SERUM URIC ACID

ORAL

Cmax 8.22 MICROMOLAR

Tmax 1.25 HOUR

F 49 PERCENT

VD 50 LITER

PPB 99.2 PERCENT

Cl 5.3 LITER / HOUR (EQN)

HT 6.5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

XANTHINE OXIDASE

PDB 1N5X (XANTHINE DEHYDROGENASE FROM BOVINE MILK WITH INHIBITOR TEI-6720 BOUND)

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

Download experimental 3D coordinates of TEI with added hydrogens

Xanthine dehydrogenase,oxidase UNIPROT P47989 XDH

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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