binodenoson


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N
InChIKey XJFMHMFFBSOEPR-DNZQAUTHSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 391.2

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
A2B AA2BR Human Adenosine A pKi 3.37 3.37 3.37 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.04 6.04 6.04 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.04 6.45 7.28 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.57 6.67 7.09 ChEMBL
A1 AA1R Human Adenosine A pKi 4.32 5.14 6.77 ChEMBL
A1 AA1R Human Adenosine A pKi 4.32 4.32 4.32 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.57 6.57 6.57 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 7.15 7.15 7.15 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.59 7.59 7.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Guinea pig Adenosine A pEC50 5.45 5.45 5.45 ChEMBL