CHEMBL4464522


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Br)c5)CC4)cc3)[nH]c2c1=O
InChIKey PLUQLUVHIZUZDQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 586.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Mouse Adenosine A pKi 9.04 9.04 9.04 ChEMBL
A1 AA1R Mouse Adenosine A pKi 6.97 6.97 6.97 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.83 9.83 9.83 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.03 7.03 7.03 ChEMBL
A1 AA1R Human Adenosine A pKi 6.03 6.03 6.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database