CHEMBL187586


SMILES Nc1nc(N2CCN(Cc3c(Cl)cncc3Cl)CC2)nc2nc(-c3ccco3)nn12
InChIKey WHALMEZLXLYARI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 445.1

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 8.7 8.7 8.7 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.17 6.17 6.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database