CHEMBL211521


SMILES CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2c1=O
InChIKey UZYVMMMONZXOCT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 453.1

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
A2A AA2AR Rat Adenosine A pKi 6.53 6.53 6.53 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.44 8.44 8.44 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A1 AA1R Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database