CHEMBL4645283


SMILES Nc1nc(NCC2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12
InChIKey HRFFVTWCZHFHFN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 570.2

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 Human Adenosine A pKi 7.22 7.22 7.22 ChEMBL
A1 AA1R Human Adenosine A pKi 6.22 6.22 6.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.81 6.81 6.81 ChEMBL