CHEMBL3982305


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)NCCCOCCOOCCCCCNC(=O)OC(C)(C)C)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey QJONFWQCTLVVDI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 4
Rotatable bonds 19
Molecular weight (Da) 734.4

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 7.08 7.08 7.08 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database