CHEMBL163968


SMILES CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1
InChIKey PKFRXUCKLQZSPD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 415.2

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 7.0 7.0 7.0 ChEMBL
A3 AA3R Human Adenosine A pKi 5.95 8.46 8.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
A1 AA1R Human Adenosine A pKi 6.22 6.22 6.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database