e-Drug3D

1931

ISTRADEFYLLINE

INN
ISTRADEFYLLINE

cas 155270-99-8

CLASS

NERVOUS SYSTEM
ADENOSINE RECEPTOR ANTAGONIST INDICATED AS ADJUNCTIVE TREATMENT TO LEVODOPA/CARBIDOPA IN ADULT PATIENTS WITH PARKINSON’S DISEASE (PD) EXPERIENCING OFF EPISODES

ROUTE (list)

ORAL

ATC code

N04CX01

PK parameters

Tmax 4 HOUR
VD 557 LITER
Cl 4.6 LITER / HOUR
PPB 98 PERCENT
t1/2 83 HOUR

Solubility

0.6 MICROGRAM PER MILLILITER IN WATER

Target

TARGET ADENOSINE RECEPTOR A2A

PDB
8GNG (CRYSTAL STRUCTURE OF HUMAN ADENOSINE A2A RECEPTOR IN COMPLEX WITH ISTRADEFYLLINE)

Ligand code = JQ9 (link to the list of PDB complexes)

Download experimental 3D coordinates of JQ9 with added hydrogens

DrugCentral

Adenosine receptor A2a UNIPROT P29274 ADORA2A

Download SDF file

1H-Purine-2,6-dione, 8-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-

Formula:
C20H24N4O4

Calculated chemical properties:

MW 384.43
NB_atoms 28
XLogP 2.12
PSA 71.869
NB_HD 0
NB_HA 8
fsp3 0.35
Lipinski(0=no;1=yes) 1

FDA
NDA 022075 (pdf not found) INN (ISTRADEFYLLINE) NOURIANZ (KYOWA KIRIN) APPROVAL= AP YEAR= 2019 NEWMOLECULARENTITY