CHEMBL166684


SMILES CCCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey IROKGKLLWZLKKI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 430.2

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
A2B AA2BR Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
A3 AA3R Human Adenosine A pKi 6.68 9.08 9.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.62 7.62 7.62 ChEMBL
A1 AA1R Human Adenosine A pKi 6.55 6.55 6.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database