CHEMBL4803071


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

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 503.2

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 8.22 8.22 8.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database