e-Drug3D

1881

TEZACAFTOR

INN
TEZACAFTOR

cas 1152311-62-0

CLASS

RESPIRATORY SYSTEM
CYSTIC FIBROSIS WITH F508DEL MUTATION
POTENTIATOR
METABOLITE M1 HAS SIMILAR POTENCY TO THAT OF TEZACAFTOR

ROUTE (list)

ORAL

ATC code

R07AX33
R07AX31
R07AX32

PK parameters

Tmax 4 HOUR
Cmax 11.4 MICROMOLAR
VD 271 LITER
Cl 1.31 LITER / HOUR
PPB 99 PERCENT
t1/2 15 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET CFTR CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

PDB
7SV7 (THE COMPLEX OF PHOSPHORYLATED HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH ATP, MG AND TEZACAFTOR (VX-661))

Ligand code = CV6 (link to the list of PDB complexes)

Download experimental 3D coordinates of CV6 with added hydrogens

DrugCentral

Cystic fibrosis transmembrane conductance regulator UNIPROT P13569 CFTR

Download SDF file

Cyclopropanecarboxamide, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl]-

Formula:
C26H27F3N2O6

Calculated chemical properties:

MW 520.50
NB_atoms 37
XLogP 3.40
PSA 113.588
NB_HD 4
NB_HA 8
fsp3 0.42
Lipinski(0=no;1=yes) 0

FDA
NDA 210491 (label) INN (IVACAFTOR ; TEZACAFTOR) SYMDEKO COPACKAGED (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2018
NDA 212273 (label) INN (ELEXACAFTOR ; IVACAFTOR ; TEZACAFTOR) TRIKAFTA COPACKAGED (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2019
NDA 217660 (label) INN (ELEXACAFTOR ; IVACAFTOR ; TEZACAFTOR) TRIKAFTA COPACKAGED (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2023
NDA 218730 (label) INN (IVACAFTOR ; TEZACAFTOR ; VANZACAFTOR CALCIUM) ALYFTREK (VERTEX PHARMS INC) APPROVAL= AP YEAR= 2024 NEWMOLECULARENTITY