CHEMBL66393


SMILES OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey TWLWIJNPUVZDOB-LSCFUAHRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 483.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 7.99 8.01 8.02 ChEMBL
A1 AA1R Bovine Adenosine A pKi 7.64 7.69 7.73 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.47 7.12 7.76 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.85 7.09 7.7 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.45 5.45 5.45 ChEMBL
A3 AA3R Human Adenosine A pKi 7.07 7.95 8.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.85 7.15 7.69 ChEMBL
A1 AA1R Human Adenosine A pKi 8.13 8.13 8.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 6.47 6.47 6.47 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.07 7.74 8.29 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.37 7.37 7.37 ChEMBL