regadenoson   Click here for help

GtoPdb Ligand ID: 5596

Synonyms: CVT-3146 | Lexiscan® | Rapiscan®
Approved drug
regadenoson is an approved drug (FDA (2008), EMA (2010))
Compound class: Synthetic organic
Comment: Regadenoson is a selective adenosine A2A receptor agonist, with a substantially longer biological half-life than adenosine.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 185.94
Molecular weight 390.14
XLogP -1.23
No. Lipinski's rules broken 1
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC
InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2008), EMA (2010))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8488 regadenoson
Synonyms Click here for help
CVT-3146 | Lexiscan® | Rapiscan®
Database Links Click here for help
Specialist databases
GPCRdb Ligand regadenoson
Other databases
CAS Registry No. 313348-27-5 (source: Scifinder)
ChEMBL Ligand CHEMBL317052
DrugBank Ligand DB06213
DrugCentral Ligand 2362
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
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UniChem Compound Search for chemical match using the InChIKey LZPZPHGJDAGEJZ-AKAIJSEGSA-N
UniChem Connectivity Search for chemical match using the InChIKey LZPZPHGJDAGEJZ-AKAIJSEGSA-N
Wikipedia Regadenoson