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
PSEUDOEPHEDRINE

PSEUDOEPHEDRINENATURAL MOLECULE (link)


ATC R01BA02
ATC R01BA52

RESPIRATORY SYSTEM
ADRENERGIC
NASAL DECONGESTANTS
SYMPATHOMIMETICS

ORAL

Cmax 1.24 MICROMOLAR

Tmax 6 HOUR

VD 198.2 LITER (65 KILOGRAM)

Cl 27.4 LITER / HOUR (EQN)

HT 5 HOUR

SOLUBILITY VERY SOLUBLE IN WATER

ADRENERGIC RECEPTOR

NOREPINEPHRINE TRANSPORTER RELEASING AGENT CHEMBL222 NOREPINEPHRINE TRANSPORTER P23975 SODIUM-DEPENDENT NORADRENALINE TRANSPORTER HOMO SAPIENS TRANSPORTER ELECTROCHEMICAL SLC SLC06ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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