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
BUDESONIDE

BUDESONIDE


ATC A07EA06
ATC D07AC09
ATC R01AD05
ATC R03BA02
ATC R03AK07
ATC R03AK12
ATC R03AL11

RESPIRATORY SYSTEM
ANTIINFLAMMATORY
BRONCHODILATOR AGENTS
CORTICOSTEROIDS
GLUCOCORTICOIDS

NASAL INHALATION ORAL RECTAL

Cmax 2.6 NANOMOLAR

Tmax 1.5 HOUR

F 9 PERCENT

VD 195 LITER (65 KILOGRAM)

PPB 87.5 PERCENT

Cl 72 LITER / HOUR

HT 2.5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER (LOGP=1.6)

GLUCOCORTICOID RECEPTOR

PDB 5NFP (GLUCOCORTICOID RECEPTOR IN COMPLEX WITH BUDESONIDE)

LIGAND CODE = 8W5 (link to the list of PDB complexes)

Download experimental 3D coordinates of 8W5 with added hydrogens

GLUCOCORTICOID RECEPTOR AGONIST CHEMBL2034 GLUCOCORTICOID RECEPTOR P04150 GLUCOCORTICOID RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C1ANSM (in French)

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