CHEMBL349611


SMILES CCCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1
InChIKey BEIRGCYOTBHQCE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 446.2

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
A2B AA2BR Human Adenosine A pKi 6.9 6.9 6.9 ChEMBL
A3 AA3R Human Adenosine A pKi 6.24 8.74 9.24 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.04 7.04 7.04 ChEMBL
A1 AA1R Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database