CHEMBL435022


SMILES CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1
InChIKey GOYAQHRLQPUEKB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 445.2

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 7.6 7.6 7.6 ChEMBL
A3 AA3R Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.42 7.42 7.42 ChEMBL
A1 AA1R Human Adenosine A pKi 7.26 7.26 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.82 6.82 6.82 ChEMBL