CHEMBL67994


SMILES Nc1nc2c(cnn2CCc2ccc(O)cc2)c2nc(-c3ccco3)nn12
InChIKey HTBACUGZYGOBQR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 361.1

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 Rat Adenosine A pKi 8.77 8.77 8.77 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.35 6.35 6.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.85 7.85 7.85 ChEMBL