CHEMBL4170460


SMILES Cc1ccc(-c2nc3c(NC4CCCC4)ncnc3n2C)cc1
InChIKey FGZGGVJMHZNKSA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 307.2

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 6.32 6.32 6.32 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.75 5.75 5.75 ChEMBL
A1 AA1R Human Adenosine A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.21 7.21 7.21 ChEMBL