regadenoson


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC
InChIKey LZPZPHGJDAGEJZ-AKAIJSEGSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 4
Molecular weight (Da) 390.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.9 6.33 6.54 ChEMBL
A1 AA1R Human Adenosine A pKi 5.42 5.42 5.42 ChEMBL
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.54 6.54 6.54 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.3 8.3 8.3 Drug Central
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 8.18 8.18 8.18 Drug Central
A2A AA2AR Rat Adenosine A pKi 6.54 6.54 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.0 5.0 5.0 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.36 8.36 8.36 Drug Central
A2A AA2AR Human Adenosine A pEC50 8.23 8.23 8.23 Drug Central
A2B AA2BR Human Adenosine A pEC50 8.3 8.3 8.3 Drug Central