e-Drug3D

1968

AVAPRITINIB

INN
AVAPRITINIB

cas 1703793-34-3

CLASS

ANTINEOPLASTIC
A TYROSINE KINASE INHIBITOR PDGFRA AND PDGFRA D842 MUTANTS AND KIT
TREATMENT OF UNRESECTABLE OR METASTATIC GASTROINTESTINAL STROMAL TUMOR (GIST)

ROUTE (list)

ORAL

ATC code

L01EX18

PK parameters

Tmax 3 HOUR
VD 1200 LITER
Cl 19.5 LITER / HOUR
PPB 98.8 PERCENT
t1/2 44.5 HOUR

Solubility

LOWER THAN 0.001 MILLIGRAM PER MILLILITER

Target

TARGET PLATELET-DERIVED GROWTH FACTOR RECEPTOR ALPHA (PDGFRA)
MAST STEM CELL GROWTH FACTOR RECEPTOR (KIT)

PDB
8PQG (C-KIT T670I MUTATED KINASE DOMAIN IN COMPLEX WITH AVAPRITINIB)

Ligand code = 9JI (link to the list of PDB complexes)

Download experimental 3D coordinates of 9JI with added hydrogens

DrugCentral

Mast,stem cell growth factor receptor Kit UNIPROT P10721 KIT

Platelet-derived growth factor receptor alpha UNIPROT P16234 PDGFRA

Download SDF file

5-Pyrimidinemethanamine, alpha-(4-fluorophenyl)-alpha-methyl-2-[4-[6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1-piperazinyl]-, (alphaS)-

Formula:
C26H27FN10

Calculated chemical properties:

MW 498.58
NB_atoms 37
XLogP 2.61
PSA 89.486
NB_HD 2
NB_HA 10
fsp3 0.27
Lipinski(0=no;1=yes) 1

FDA
NDA 212608 (pdf not found) INN (AVAPRITINIB) AYVAKIT (BLUEPRINT MEDICINES) APPROVAL= AP YEAR= 2020 NEWMOLECULARENTITY