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
CHLOROQUINE

CHLOROQUINE


ATC P01BA01

ANTIPARASITIC
ANTIMALARIALS

ORAL INJECTION

Cmax 0.513 MICROMOLAR (PMID6661356)

VD 9100 LITER (65 KILOGRAM)

PPB 55 PERCENT

Cl 16 LITER / HOUR (65 KILOGRAM)

HT 570 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

DNA
LACTATE DEHYDROGENASE

PDB 4V2O (STRUCTURE OF SAPOSIN B IN COMPLEX WITH CHLOROQUINE)

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

Download experimental 3D coordinates of CLQ with added hydrogens

HEMOGLOBIN SUBUNIT ALPHA P69905 HEMOGLOBIN SUBUNIT ALPHA HOMO SAPIENS SECRETEDANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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