CHEMBL3941406


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)NCCCOCCOOCCCCCN)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey XYJFBOLPYWWSPF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 18
Molecular weight (Da) 634.3

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
A3 AA3R Human Adenosine A pKi 7.99 7.99 7.99 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database