e-Drug3D

1951

PEXIDARTINIB

INN
PEXIDARTINIB

cas 1029044-16-3

CLASS

ANTINEOPLASTIC
TYROSINE KINASE INHIBITOR COLONY STIMULATING ACTOR 1 RECEPTOR (CSF1R), KIT PROTO-ONCOGENE RECEPTOR TYROSINE KINASE (KIT), AND FMS-LIKE TYROSINE KINASE 3 (FLT3)
TREATMENT OF SYMPTOMATIC TENOSYNOVIAL GIANT CELL TUMOR (TGCT)

ROUTE (list)

ORAL

ATC code

L01EX15

PK parameters

Tmax 2.5 HOUR
Cmax 20.6 MICROMOLAR
VD 187 LITER
Cl 5.1 LITER / HOUR
PPB 99 PERCENT
t1/2 26.6 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER

Target

TARGET COLONY STIMULATING ACTOR 1 RECEPTOR (CSF1R)

PDB
4R7H (CRYSTAL STRUCTURE OF FMS KINASE DOMAIN WITH A SMALL MOLECULAR INHIBITOR, PLX3397)

Ligand code = P31 (link to the list of PDB complexes)

Download experimental 3D coordinates of P31 with added hydrogens

DrugCentral

Mast,stem cell growth factor receptor Kit UNIPROT P10721 KIT

Receptor-type tyrosine-protein kinase FLT3 UNIPROT P36888 FLT3

Download SDF file

3-Pyridinemethanamine, N-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]-6-(trifluoromethyl)-

Formula:
C20H15ClF3N5

Calculated chemical properties:

MW 417.82
NB_atoms 29
XLogP 5.23
PSA 57.976
NB_HD 2
NB_HA 5
fsp3 0.15
Lipinski(0=no;1=yes) 0

FDA
NDA 211810 (label) INN (PEXIDARTINIB HYDROCHLORIDE) TURALIO (DAIICHI SANKYO INC) APPROVAL= AP YEAR= 2019