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
IMIPRAMINE

IMIPRAMINE


ATC N06AA02
ATC N06AA03

NERVOUS SYSTEM
TRICYCLIC ANTIDEPRESSANT
NOREPINEPHRINE REUPTAKE INHIBITOR

ORAL INJECTION

VD 828 LITER (65 KILOGRAM)

PPB 92.5 PERCENT

Cl 50.7 LITER / HOUR (65 KILOGRAM)

HT 16 HOUR

SOLUBILITY INSOLUBLE IN WATER

NORADRENALINE TRANSPORTER

PDB 2Q72 (CRYSTAL STRUCTURE ANALYSIS OF LEUT COMPLEXED WITH L-LEUCINE, SODIUM, AND IMIPRAMINE)

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

Download experimental 3D coordinates of IXX with added hydrogens

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

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