CHEMBL3956455


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

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 562.2

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 7.72 7.72 7.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database