CHEMBL4567785


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(N=[N+]=[N-])cc5)CC4)cc3)[nH]c2c1=O
InChIKey JKFSQPLNNABFOX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 549.2

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 9.61 9.61 9.61 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A1 AA1R Human Adenosine A pKi 6.31 6.31 6.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database