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
PRAZIQUANTEL

PRAZIQUANTEL


ATC P02BA01

ANTIPARASITIC
ANTHELMINTIC
TREATMENT OF OF SCHISTOSOME INFECTIONS AND INFECTIONS DUE TO LIVER FLUKE
ANTIMALARIALS

ORAL

Cmax 2.6 MICROMOLAR

Tmax 2 HOUR

F 80 PERCENT

PPB 80 PERCENT

HT 1.1 HOUR

SOLUBILITY VERY SLIGHTLY SOLUBLE IN WATER

GLUTATHIONE S-TRANSFERASE

PDB 1GTB (CRYSTAL STRUCTURES OF A SCHISTOSOMAL DRUG AND VACCINE TARGET: GLUTATHIONE S-TRANSFERASE FROM SCHISTOSOMA JAPONICA AND ITS COMPLEX WITH THE LEADING ANTISCHISTOSOMAL DRUG PRAZIQUANTEL)

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

Download experimental 3D coordinates of PZQ with added hydrogens

VOLTAGE-ACTIVATED CALCIUM CHANNEL BETA 1 SUBUNIT BLOCKER CHEMBL2363079 VOLTAGE-ACTIVATED CALCIUM CHANNEL BETA 1 SUBUNIT Q95US7 HIGH VOLTAGE-ACTIVATED CALCIUM CHANNEL BETA SUBUNIT CAVB1 SCHISTOSOMA MANSONI AUXILIARY TRANSPORT PROTEIN CA BETAANSM (in French)

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