CHEMBL3679388


SMILES COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChIKey DKXQAUQBUSRNHS-FJPLYAHASA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 471.2

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
A3 AA3R Rabbit Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A1 AA1R Rabbit Adenosine A pKi 8.25 8.25 8.25 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.56 5.56 5.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database