e-Drug3D

2010

PRALSETINIB

INN
PRALSETINIB

cas 2097132-94-8

CLASS

ANTINEOPLASTIC
RET PROTEIN TYROSINE KINASE INHIBITOR
TREATMENT OF NON-SMALL CELL LUNG CANCER (NSCLC)
INHIBITS DDR1
RKC
FLT3
JAK1-2
TRKA
VEGFR2
PDGFRB
FGFR1

ROUTE (list)

ORAL

ATC code

L01EX23

PK parameters

Tmax 3 HOUR
VD 228 LITER
Cl 9.1 LITER / HOUR
PPB 97.1 PERCENT
t1/2 14.7 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER (LESS THAN 0.001 MILLIGRAM PER MILLILITER)

Target

TARGET RET PROTEIN TYROSINE KINASE (IC50 LESS THAN 0.5 NANOMOLAR)

PDB
7JU5 (STRUCTURE OF RET PROTEIN TYROSINE KINASE IN COMPLEX WITH PRALSETINIB)

Ligand code = Q4J (link to the list of PDB complexes)

Download experimental 3D coordinates of Q4J with added hydrogens

DrugCentral

Proto-oncogene tyrosine-protein kinase receptor Ret UNIPROT P07949 RET

Download SDF file

Cyclohexanecarboxamide, N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, cis-

Formula:
C27H32FN9O2

Calculated chemical properties:

MW 533.62
NB_atoms 39
XLogP 4.20
PSA 118.523
NB_HD 3
NB_HA 11
fsp3 0.41
Lipinski(0=no;1=yes) 0

FDA
NDA 213721 (pdf not found) INN (PRALSETINIB) GAVRETO (RIGEL PHARMS) APPROVAL= AP YEAR= 2020
NDA 214701 (pdf not found) INN (PRALSETINIB) GAVRETO (BLUEPRINT MEDICINES) APPROVAL= AP YEAR= 2020 NEWAPPLICATION