Cheminformatic Tools and Databases for Pharmacology

session 18432 - Total of 1 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
QUININE

QUININENATURAL MOLECULE (link)


ATC P01BC01
ATC M09AA72

ANTIPARASITIC
ALKALOID
ANTIMALARIAL

ORAL

Cmax 9.8 MICROMOLAR

Tmax 2.8 HOUR

F 82 PERCENT

VD 312 LITER (65 KILOGRAM)

PPB 80 PERCENT

Cl 11 LITER / HOUR (65 KILOGRAM)

HT 11 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

HEMOZOIN

PDB 4WNV (HUMAN CYTOCHROME P450 2D6 QUININE COMPLEX)

LIGAND CODE = QI9 (link to the list of PDB complexes)

Download experimental 3D coordinates of QI9 with added hydrogens

FERRIPROTOPORPHYRIN IX INHIBITOR CHEMBL613897 FERRIPROTOPORPHYRIN IX PLASMODIUM FALCIPARUMANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |