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
ELBASVIR

ELBASVIR


ATC J05AX68
ATC J05AP54
ATC J05AP10

ANTIINFECTIVES
HEPATITIS C VIRUS (HCV) NS5A INHIBITOR

ORAL

Cmax 137 NANOMOLAR

Tmax 3 HOUR

VD 680 LITER

PPB 99.9 PERCENT

HT 24 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

NS5A

GENOME POLYPROTEIN POLG_HCVH INHIBITOR P27958 POLG_HCVBK INHIBITOR P26663 POLG_HCVED INHIBITOR O39929ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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