CHEMBL4439605


SMILES Nc1nc(N/N=C/c2ccc(N3CCCC3)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey YVXAEGXMNWSIPE-QPLSIJSKSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 454.2

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
A2A AA2AR Human Adenosine A pKi 5.18 5.18 5.18 ChEMBL
A1 AA1R Human Adenosine A pKi 8.29 8.29 8.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database