CHEMBL413046


SMILES CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1
InChIKey AOGVIQYJUIIKMJ-UGCAPWQASA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 537.2

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 Rat Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.63 5.63 5.63 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.37 6.37 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database