CHEMBL4542585


SMILES Nc1nc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey BSBGWMHQUSMMBO-HIJSFIBBSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 552.2

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
A2A AA2AR Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database