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
ELEXACAFTOR

ELEXACAFTOR


ATC R07AX32

RESPIRATORY SYSTEM
TREATMENT OF CYSTIC FIBROSIS (CF)
THE COMBINED EFFECT OF ELEXACAFTOR, TEZACAFTOR AND IVACAFTOR IS INCREASED QUANTITY AND FUNCTION OF F508DEL-CFTR AT THE CELL SURFACE
ELEXACAFTOR AND TEZACAFTOR BIND TO DIFFERENT SITES ON THE CFTR PROTEIN

ORAL

Cmax 14.6 MICROMOLAR

Tmax 6 HOUR

F 80 PERCENT

VD 53.7 LITER

PPB 99 PERCENT

Cl 1.18 LITER / HOUR

HT 29.8 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER (<1 MG/ML)

CFTR CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

Cystic fibrosis transmembrane conductance regulator P13569 (CFTR_HUMAN)EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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