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
PRIMAQUINE

PRIMAQUINE


ATC P01BA03

ANTIPARASITIC
ANTIMALARIAL
ANTIPROTOZOAL AGENTS
CAPABLE OF CLEARING THE INTRA-HEPATIC SCHIZONTS AND HYPNOZOITES OF PLASMODIUM VIVAX
PRECIPITATE HAEMOLYSIS IN GLUCOSE-6-PHOSPHATE DEHYDROGENASE (G6PD) DEFICIENT INDIVIDUALS
GAMETOCYTOCIDAL AGENT IN FALCIPARUM MALARIA
INTERFERE WITH THE CELLULAR RESPIRATION OF THE PARASITE BY GENERATING OXYGEN FREE RADICALS AND DEREGULATING THE ELECTRON TRANSPORT

ORAL

Cmax 16 NANOMOLAR (15 MILLIGRAM / DAY , PMID3542534)

VD 292 LITER

Cl 37.6 LITER / HOUR

HT 5.6 HOUR

PDB 4FGJ (OXIDIZED QUINONE REDUCTASE 2 IN COMPLEX WITH PRIMAQUINE)

LIGAND CODE = 1PQ (link to the list of PDB complexes)

Download experimental 3D coordinates of 1PQ with added hydrogens

Sodium-dependent serotonin transporter P31645 (SC6A4_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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