CHEMBL2071046


SMILES Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1
InChIKey QLCUVXNMVMSRNX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 532.2

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 8.31 8.31 8.31 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.49 5.49 5.49 ChEMBL
A1 AA1R Human Adenosine A pKi 6.39 6.39 6.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.98 5.98 5.98 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.82 7.82 7.82 ChEMBL