CHEMBL2070886


SMILES Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1
InChIKey OLGKBROKZWGHDW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 471.2

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 7.52 7.52 7.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.28 6.28 6.28 ChEMBL
A1 AA1R Human Adenosine A pKi 6.15 6.15 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.69 5.69 5.69 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.92 6.92 6.92 ChEMBL