CHEMBL4595472


SMILES Cn1cc2c(nc(NCCCOCCOCCOCCCN)n3nc(-c4ccco4)nc23)n1
InChIKey ZCZGVUZFOZKQNQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 458.2

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 6.51 6.51 6.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A1 AA1R Human Adenosine A pKi 5.78 5.78 5.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database