e-Drug3D

1782

LUMACAFTOR

INN
LUMACAFTOR

cas 936727-05-8

CLASS

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

ROUTE (list)

ORAL

ATC code

R07AX30

PK parameters

Tmax 4 HOUR
VD 86 LITER
Cl 2.38 LITER / HOUR
PPB 99 PERCENT
t1/2 25.2 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET CFTR CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

PDB
7SVD (THE COMPLEX OF PHOSPHORYLATED HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH ATP, MG AND LUMACAFTOR (VX-809))

Ligand code = VX8 (link to the list of PDB complexes)

Download experimental 3D coordinates of VX8 with added hydrogens

DrugCentral

Cystic fibrosis transmembrane conductance regulator UNIPROT P13569 CFTR

Download SDF file

Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]-

Formula:
C24H18F2N2O5

Calculated chemical properties:

MW 451.40
NB_atoms 33
XLogP 3.41
PSA 95.344
NB_HD 1
NB_HA 7
fsp3 0.21
Lipinski(0=no;1=yes) 1

FDA
NDA 206038 (label) INN (IVACAFTOR ; LUMACAFTOR) ORKAMBI (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2015 NEWMOLECULARENTITY
NDA 211358 (label) INN (IVACAFTOR ; LUMACAFTOR) ORKAMBI (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2018