istradefylline

Ligand id: 5608

Name: istradefylline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 76.9
Molecular weight 384.18
XLogP 2.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
International Nonproprietary Names
INN number INN
8387 istradefylline
Synonyms
KW-6002 | KW6002
Database Links
CAS Registry No. 155270-99-8 (source: SciFinder)
ChEMBL Ligand CHEMBL431770
PubChem CID 5311037
Search Google for chemical match using the InChIKey IQVRBWUUXZMOPW-PKNBQFBNSA-N
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Search UniChem for chemical match using the InChIKey IQVRBWUUXZMOPW-PKNBQFBNSA-N
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Wikipedia Istradefylline
Comments
Istradefylline is a high affinity, selective adenosine A2A receptor antagonist. Chemically it is a caffeine analogue.