e-Drug3D

1532

IVACAFTOR


INN
IVACAFTOR

cas 873054-44-5
CLASS

RESPIRATORY SYSTEM
CYSTIC FIBROSIS
POTENTIATOR

ROUTE (list)

ORAL

ATC code

R07AX02
R07AX30
R07AX31
R07AX32

PK parameters

VD 353 LITER (150 MILLIGRAM EVERY 12 HOURS DURING 7 DAYS)
Cl 17.3 LITER / HOUR (150 MILLIGRAM)
PPB 99 PERCENT
t1/2 12 HOUR (150 MILLIGRAM)

Solubility

PRACTICALLY INSOLUBLE IN WATER < 0.05 MICROGRAM / MILLILITER


Target

TARGET G551D-CFTR CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

PDB
6O2P (COMPLEX OF IVACAFTOR WITH CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR))

Ligand code = VX7 (link to the list of PDB complexes)

Download experimental 3D coordinates of VX7 with added hydrogens

DrugCentral

Cystic fibrosis transmembrane conductance regulator UNIPROT P13569 CFTR

Download SDF file N-(2,4-di-tert-butyl-5-hydroxyphenyl)-1,4-dihydro-4oxoquinoline-3-carboxamide

Formula:
C24H28N2O3

Calculated chemical properties:

MW 392.48
NB_atoms 29
XLogP 5.08
PSA 61.003
NB_HD 3
NB_HA 5
fsp3 0.33
Lipinski(0=no;1=yes) 0

FDA
NDA 203188 (pdf not found) INN (IVACAFTOR) KALYDECO (VERTEX PHARMS) APPROVAL= AP YEAR= 2012
NDA 206038 (pdf not found) INN (IVACAFTOR ; LUMACAFTOR) ORKAMBI (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2015 NEWMOLECULARENTITY
NDA 207925 (pdf not found) INN (IVACAFTOR) KALYDECO (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2015
NDA 210491 (pdf not found) INN (IVACAFTOR ; TEZACAFTOR) SYMDEKO COPACKAGED (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2018
NDA 211358 (pdf not found) INN (IVACAFTOR ; LUMACAFTOR) ORKAMBI (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2018
NDA 212273 (pdf not found) INN (ELEXACAFTOR ; IVACAFTOR ; TEZACAFTOR) TRIKAFTA COPACKAGED (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2019
NDA 216074 (pdf not found) INN (IVACAFTOR) IVACAFTOR (LUPIN LTD) APPROVAL= TA YEAR= 2022
NDA 217660 (pdf not found) INN (ELEXACAFTOR ; IVACAFTOR ; TEZACAFTOR) TRIKAFTA COPACKAGED (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2023
NDA 218730 (pdf not found) INN (IVACAFTOR ; TEZACAFTOR ; VANZACAFTOR CALCIUM) ALYFTREK (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2024 NEWMOLECULARENTITY
NDA 217431 (pdf not found) INN (IVACAFTOR) IVACAFTOR (LUPIN LTD) APPROVAL= TA YEAR= 2025

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL