preladenant

Ligand id: 5614

Name: preladenant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 125
Molecular weight 503.24
XLogP 1.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
8880 preladenant
Synonyms
SCH-420814 | SCH420814
Database Links
CAS Registry No. 377727-87-2 (source: SciFinder)
ChEMBL Ligand CHEMBL240624
PubChem CID 10117987
Search Google for chemical match using the InChIKey DTYWJKSSUANMHD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DTYWJKSSUANMHD
Search PubMed clinical trials preladenant
Search PubMed titles preladenant
Search PubMed titles/abstracts preladenant
Search UniChem for chemical match using the InChIKey DTYWJKSSUANMHD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DTYWJKSSUANMHD
Wikipedia Preladenant
Comments
Preladenant (SCH 420814) was an adenosine A2A receptor antagonist being developed for Parkinson's disease. Promising Phase 2 trial results did not translate to a significant effect over placebo in Phase 3 trial. Development has been discontinued.