CHEMBL472112


SMILES Nc1nc2c(cnn2CCN2CCc3ccc(Br)cc3CC2)c2nc(-c3ccco3)nn12
InChIKey BYBYOCSOAACENO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 492.1

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 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database