CHEMBL5201013


SMILES COc1cccc(O[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChIKey BXIXAVMJHWVWHC-NKYRPOHVSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 457.2

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 Rat Adenosine A pKi 6.56 6.56 6.56 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.58 6.58 6.58 ChEMBL
A1 AA1R Human Adenosine A pKi 6.61 6.61 6.61 ChEMBL
A1 AA1R Human Adenosine A pKd 6.9 6.9 6.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 5.24 5.24 5.24 ChEMBL
A1 AA1R Human Adenosine A pEC50 9.28 9.28 9.28 ChEMBL