regadenoson [6711]



regadenoson


SMILES CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
InChIKey LZPZPHGJDAGEJZ-AKAIJSEGSA-N

Chemical Properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 4
Log P -2.435
Molecular weight (Da) 390.1
Stereochemistry info full

Database connections

Model (Boltz2) 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

regadenoson


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

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

Database connections

Model (Boltz2) A2A

Sankey plot