e-Drug3D

1826

RUCAPARIB

INN
RUCAPARIB

cas 283173-50-2

CLASS

ANTINEOPLASTIC
TREATMENT OF OVARIAN CANCER WITH DELETERIOUS BRCA MUTATION
POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR

ROUTE (list)

ORAL

ATC code

L01XK03

PK parameters

F 36 PERCENT
Tmax 1.9 HOUR
VD 187 LITER
Cl 47 LITER / HOUR
PPB 70 PERCENT
t1/2 17 HOUR

Solubility

PH-INDEPENDENT LOW SOLUBILITY OF APPROXIMATELY 1 MG/ML ACROSS THE PHYSIOLOGICAL PH RANGE

Target

TARGET POLY (ADP-RIBOSE) POLYMERASE (PARP)
PARP-1
PARP-2
PARP-3

PDB
4BJC (CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH RUCAPARIB)

Download experimental 3D coordinates of RPB with added hydrogens

Poly ADP-ribose polymerase 2 UNIPROT Q9UGN5 PARP2

Poly ADP-ribose polymerase 1 UNIPROT P09874 PARP1

Download SDF file

6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-

Formula:
C19H18FN3O

Calculated chemical properties:

MW 323.36
NB_atoms 24
XLogP 2.98
PSA 59.135
NB_HD 3
NB_HA 4
fsp3 0.21
Lipinski(0=no;1=yes) 1

FDA
NDA 209115 (label) INN (RUCAPARIB CAMSYLATE) RUBRACA (PHARMAAND) APPROVAL= AP YEAR= 2016 NEWMOLECULARENTITY