regadenoson

Ligand id: 5596

Name: regadenoson

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 186.46
Molecular weight 390.14
XLogP -2.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2008), EMA (2010))
IUPAC Name
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
International Nonproprietary Names
INN number INN
8488 regadenoson
Synonyms
CVT-3146 | Lexiscan® | Rapiscan®
Database Links
CAS Registry No. 313348-27-5 (source: Scifinder)
ChEMBL Ligand CHEMBL317052
DrugBank Ligand DB06213
GtoPdb PubChem SID 178102231
PubChem CID 219024
Search Google for chemical match using the InChIKey LZPZPHGJDAGEJZ-AKAIJSEGSA-N
Search Google for chemicals with the same backbone LZPZPHGJDAGEJZ
Search PubMed clinical trials regadenoson
Search PubMed titles regadenoson
Search PubMed titles/abstracts regadenoson
Search UniChem for chemical match using the InChIKey LZPZPHGJDAGEJZ-AKAIJSEGSA-N
Search UniChem for chemicals with the same backbone LZPZPHGJDAGEJZ
Wikipedia Regadenoson
Comments
Regadenoson is a selective adenosine A2A receptor agonist, with a substantially longer biological half-life than adenosine.