e-Drug3D

1738

CERITINIB

INN
CERITINIB

cas 1032900-25-6

CLASS

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

ROUTE (list)

ORAL

ATC code

L01ED02

PK parameters

Tmax 5 HOUR
VD 4230 LITER
Cl 33.2 LITER / HOUR
PPB 97 PERCENT
t1/2 41 HOUR

Target

TARGET ALK TYROSINE KINASE

PDB
4MKC (CRYSTAL STRUCTURE OF ANAPLASTIC LYMPHOMA KINASE COMPLEXED WITH LDK378)

Ligand code = 4MK (link to the list of PDB complexes)

Download experimental 3D coordinates of 4MK with added hydrogens

DrugCentral

ALK tyrosine kinase receptor UNIPROT Q9UM73 ALK

Download SDF file

2,4-Pyrimidinediamine, 5-chloro-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]-

Formula:
C28H36ClN5O3S

Calculated chemical properties:

MW 558.14
NB_atoms 38
XLogP 6.36
PSA 92.547
NB_HD 3
NB_HA 8
fsp3 0.43
Lipinski(0=no;1=yes) 0

FDA
NDA 205755 (label) INN (CERITINIB) ZYKADIA (NOVARTIS) APPROVAL= AP YEAR= 2014 DISCONTINUED
NDA 211225 (label) INN (CERITINIB) ZYKADIA (NOVARTIS) APPROVAL= AP YEAR= 2019