CHEMBL3928902


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)NCCCCCN)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey BKRMHMBQECVLAH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 516.2

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
A3 AA3R Human Adenosine A pKi 8.57 8.57 8.57 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.69 6.69 6.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database