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
PIBRENTASVIR

PIBRENTASVIR


ATC J05AP57

ANTIINFECTIVES
TREATMENT OF HEPATITIS C VIRUS (HCV)
NS3/4A PROTEASE INHIBITOR

ORAL

Cmax 98.9 NANOMOLAR

Tmax 5 HOUR

PPB 99.9 PERCENT

HT 13 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

NS5A PROTEASE

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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