CHEMBL2071045


SMILES Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1
InChIKey OGOXUHKBRMQKAY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 542.3

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 7.84 7.84 7.84 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.79 5.79 5.79 ChEMBL
A1 AA1R Human Adenosine A pKi 6.95 6.95 6.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.81 5.81 5.81 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.34 7.34 7.34 ChEMBL