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
LUMACAFTOR

LUMACAFTOR


ATC R07AX30

RESPIRATORY SYSTEM
CYSTIC FIBROSIS
POTENTIATOR
IMPROVES THE CONFORMATIONAL STABILITY OF F508DEL-CFTR RESULTING IN INCREASED PROCESSING AND TRAFFICKING OF MATURE PROTEIN TO THE CELL SURFACE

ORAL

Cmax 55.3 MICROMOLAR

Tmax 4 HOUR

VD 86 LITER

PPB 99 PERCENT

Cl 2.38 LITER / HOUR

HT 25.2 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

CFTR CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR STABILISER CHEMBL4051 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR P13569 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR HOMO SAPIENS ION CHANNEL OTHER CHLORIDE CFTRANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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