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
VOCLOSPORIN

VOCLOSPORIN


ATC L04AD03

IMMUNOMODULATING
CYCLOPHILIN LIGAND
A CALCINEURIN-INHIBITOR IMMUNOSUPPRESSANT

ORAL

Tmax 1.5 HOUR

VD 2154 LITER

PPB 97 PERCENT

Cl 63.6 LITER / HOUR

HT 30 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER (LESS THAN 0.1 GRAM PER LITER)

CYCLOPHILIN A

PDB 3ODI (CRYSTAL STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH VOCLOSPORIN E-ISA247)

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

Download experimental 3D coordinates of VOCLOSPORIN with added hydrogens

Not determined at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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