CHEMBL1095811


SMILES Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCN3CCS(=O)(=O)CC3)ccc1C2=O
InChIKey BJKOHLYVJHWNOD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 449.2

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
A2A AA2AR Human Adenosine A pKi 8.51 8.51 8.51 ChEMBL
A1 AA1R Human Adenosine A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database