CHEMBL182612


SMILES Nc1nc(C#CC2(N)CCCCC2)cn2nc(-c3ccco3)nc12
InChIKey IJNKMZAOCAUMML-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 322.2

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 Rat Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database