CHEMBL428605


SMILES COc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIKey CSSFLQDIZXHZCC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 503.2

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
A1 AA1R Human Adenosine A pKi 6.27 6.27 6.27 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.15 5.15 5.15 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.49 7.49 7.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database