e-Drug3D

1930

ALPELISIB

INN
ALPELISIB

cas 1217486-61-7

CLASS

ANTINEOPLASTIC
TREATMENT OF BREAST CANCER
INHIBITOR OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3K)

ROUTE (list)

ORAL

ATC code

L01EM03

PK parameters

Tmax 3 HOUR
Cmax 5.6 MICROMOLAR
VD 114 LITER
Cl 9.2 LITER / HOUR
PPB 89 PERCENT
t1/2 8.5 HOUR

Target

TARGET PHOSPHATIDYLINOSITOL-3-KINASE (PI3K)

PDB
4JPS (CO-CRYSTAL STRUCTURES OF THE LIPID KINASE PI3K ALPHA WITH PAN AND ISOFORM SELECTIVE INHIBITORS)

Ligand code = 1LT (link to the list of PDB complexes)

Download experimental 3D coordinates of 1LT with added hydrogens

DrugCentral

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform UNIPROT P42336 PIK3CA

Download SDF file

1,2-Pyrrolidinedicarboxamide, N1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-, (2S)-

Formula:
C19H22F3N5O2S

Calculated chemical properties:

MW 441.49
NB_atoms 30
XLogP 3.84
PSA 87.034
NB_HD 3
NB_HA 7
fsp3 0.47
Lipinski(0=no;1=yes) 1

FDA
NDA 212526 (label) INN (ALPELISIB) PIQRAY (NOVARTIS) APPROVAL= AP YEAR= 2019
NDA 215039 (label) INN (ALPELISIB) VIJOICE (NOVARTIS) APPROVAL= AP YEAR= 2022 NEWAPPLICATION
NDA 218466 (label) INN (ALPELISIB) VIJOICE (NOVARTIS) APPROVAL= AP YEAR= 2024