Cheminformatic Tools and Databases for Pharmacology

session 99097 - Total of 1 hits - Display   hits per page:

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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

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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