e-Drug3D

1841

BRIGATINIB

INN
BRIGATINIB

cas 1197953-54-0

CLASS

ANTINEOPLASTIC
TREATMENT OF ANAPLASTIC LYMPHOMA KINASE (ALK)-POSITIVE METASTATIC NON-SMALL CELL LUNG CANCER (NSCLC)
ALK TYROSINE KINASE INHIBITOR

ROUTE (list)

ORAL

ATC code

L01ED04

PK parameters

Tmax 2.5 HOUR
VD 153 LITER
Cl 12.7 LITER / HOUR
PPB 66 PERCENT
t1/2 25 HOUR

Target

TARGET ALK KINASE
ROS1
IGF-1R
FLT-3
EGFR

PDB
5J7H (CRYSTAL STRUCTURE OF ANAPLASTIC LYMPHOMA KINASE (ALK) BOUND BY BRIGATINIB)

Download experimental 3D coordinates of 6GY with added hydrogens

ALK tyrosine kinase receptor UNIPROT Q9UM73 ALK

Download SDF file

2,4-Pyrimidinediamine, 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-

Formula:
C29H39ClN7O2P

Calculated chemical properties:

MW 584.09
NB_atoms 40
XLogP 5.09
PSA 80.882
NB_HD 2
NB_HA 9
fsp3 0.45
Lipinski(0=no;1=yes) 0

FDA
NDA 208772 (label) INN (BRIGATINIB) ALUNBRIG (TAKEDA PHARMS USA) APPROVAL= AP YEAR= 2017 NEWMOLECULARENTITY