CHEMBL220335


SMILES CONc1nc(C#Cc2ccc(CC#N)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey VVTWSQHPMAGHEJ-HAXDFEGKSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 436.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 8.43 8.43 8.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.51 5.51 5.51 ChEMBL
A1 AA1R Human Adenosine A pKi 6.12 6.12 6.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database