e-Drug3D

1917

LORLATINIB

INN
LORLATINIB

cas 1454846-35-5

CLASS

ANTINEOPLASTIC
KINASE INHIBITOR
TREATMENT OF ANAPLASTIC LYMPHOMA KINASE (ALK)-POSITIVE METASTATIC NON-SMALL CELL LUNG CANCER (NSCLC)
ACTIVITY AGAINST ALK AND ROS1 AS WELL AS TYK1, FER, FPS, TRKA, TRKB, TRKC, FAK, FAK2, AND ACK

ROUTE (list)

ORAL

ATC code

L01ED05

PK parameters

F 81 PERCENT
Tmax 1.2 HOUR
VD 305 LITER
Cl 11 LITER / HOUR
PPB 66 PERCENT
t1/2 24 HOUR

Solubility

0.17 MILLIGRAM PER MILLILITER

Target

TARGET ALK
ROS1

PDB
5A9U (HUMAN ANAPLASTIC LYMPHOMA KINASE)

Ligand code = 5P8 (link to the list of PDB complexes)

Download experimental 3D coordinates of 5P8 with added hydrogens

DrugCentral

ALK tyrosine kinase receptor UNIPROT Q9UM73 ALK

Proto-oncogene tyrosine-protein kinase ROS UNIPROT P08922 ROS1

Download SDF file

2H-4,8-Methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, 7-amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-, (10R)-

Formula:
C21H19FN6O2

Calculated chemical properties:

MW 406.42
NB_atoms 30
XLogP 2.80
PSA 99.006
NB_HD 2
NB_HA 8
fsp3 0.24
Lipinski(0=no;1=yes) 1

FDA
NDA 210868 (label) INN (LORLATINIB) LORBRENA (PFIZER) APPROVAL= AP YEAR= 2018 NEWMOLECULARENTITY