e-Drug3D

1834

NIRAPARIB

INN
NIRAPARIB

cas 1038915-60-4

CLASS

ANTINEOPLASTIC
TREATMENT OF RECURRENT EPITHELIAL OVARIAN, FALLOPIAN TUBE, OR PRIMARY PERITONEAL CANCER
POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR

ROUTE (list)

ORAL

ATC code

L01XK02
L01XK52

PK parameters

F 73 PERCENT
Tmax 3 HOUR
VD 1220 LITER
Cl 16.2 LITER / HOUR
PPB 83 PERCENT
t1/2 36 HOUR

Solubility

AQUEOUS OF 0.7 MG/ML TO 1.1 MG/ML ACROSS THE PHYSIOLOGICAL PH RANGE

Target

TARGET POLY(ADP-RIBOSE) POLYMERASE (PARP)
PARP-1
PARP-2

PDB
4R6E (HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR NIRAPARIB)

Ligand code = 3JD (link to the list of PDB complexes)

Download experimental 3D coordinates of 3JD with added hydrogens

DrugCentral

Poly ADP-ribose polymerase 2 UNIPROT Q9UGN5 PARP2

Poly ADP-ribose polymerase 1 UNIPROT P09874 PARP1

Download SDF file

2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]-

Formula:
C19H20N4O

Calculated chemical properties:

MW 320.39
NB_atoms 24
XLogP 2.59
PSA 69.545
NB_HD 3
NB_HA 5
fsp3 0.26
Lipinski(0=no;1=yes) 1

FDA
NDA 208447 (label) INN (NIRAPARIB TOSYLATE) ZEJULA (GLAXOSMITHKLINE) APPROVAL= AP YEAR= 2017 DISCONTINUED
NDA 214876 (label) INN (NIRAPARIB TOSYLATE) ZEJULA (GLAXOSMITHKLINE) APPROVAL= AP YEAR= 2023
NDA 216793 (label) INN (ABIRATERONE ACETATE ; NIRAPARIB TOSYLATE) AKEEGA (JANSSEN BIOTECH) APPROVAL= AP YEAR= 2023