CHEMBL4582353


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(O)cc5)CC4)cc3)[nH]c2c1=O
InChIKey HPDFSDCWGIUIGY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 510.2

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 8.37 8.37 8.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.01 7.01 7.01 ChEMBL
A1 AA1R Human Adenosine A pKi 6.45 6.45 6.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database