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
OXAMNIQUINE DISCONTINUED

OXAMNIQUINE


ATC P02BA02

ANTIPARASITIC
ANTISCHISTOSOMAL
SCHISTOSOMICIDES

ORAL

Cmax 992 NANOMOLAR

Tmax 1.4 HOUR (PMID3104279)

HT 2.2 HOUR

SULFOTRANSFERASES (PMID17308787)

PDB 5TIW (SCHISTOSOMA HAEMATOBIUM (BLOOD FLUKE) SULFOTRANSFERASE/RACEMIC OXAMNIQUINE COMPLEX)

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

Download experimental 3D coordinates of OAQ with added hydrogens

DNA INHIBITOR CHEMBL2366043 DNA SCHISTOSOMA MANSONIANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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