CHEMBL3679386


SMILES CC(C)c1ccc(CO[C@@H]2CCCC2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
InChIKey HEHPEMPIIGZAPY-JSNTWKLXSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 483.2

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
A1 AA1R Rabbit Adenosine A pKi 8.22 8.22 8.22 ChEMBL
A3 AA3R Rabbit Adenosine A pKi 5.43 5.43 5.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.42 5.42 5.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database