CHEMBL4540395


SMILES Cn1c(=O)c2c(nc3n2CCN(Cc2csc(-c4cccs4)n2)C3)n(C)c1=O
InChIKey YQRZRTIMIDGUQW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 414.1

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 6.92 6.92 6.92 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.78 6.78 6.78 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.69 6.69 6.69 ChEMBL
A1 AA1R Human Adenosine A pKi 6.19 6.19 6.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database