istradefylline [4290]



istradefylline


SMILES CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O
InChIKey IQVRBWUUXZMOPW-PKNBQFBNSA-N

Chemical Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 6
Log P 2.124
Molecular weight (Da) 384.2
Stereochemistry info unspecified

Database connections

Structure pdb 9FUP 8GNG 8RW0
Model (Boltz2) A2A
Ligand site mutations A1 A2A

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

istradefylline


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 1
Phase III 0
Phase IV 1

Database connections

Structure pdb 9FUP 8GNG 8RW0
Model (Boltz2) A2A
Ligand site mutations A1 A2A

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score