CHEMBL349954


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 484.2

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 6.14 8.64 9.14 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A1 AA1R Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.89 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database