CHEMBL342500


SMILES CC(C)=CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1
InChIKey FKTKRJGYATWTBW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 462.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
A3 AA3R Human Adenosine A pKi 4.26 6.66 7.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.96 6.96 6.96 ChEMBL
A1 AA1R Human Adenosine A pKi 6.45 6.45 6.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database