CHEMBL4549506


SMILES Cn1c(=O)c2c(nc3n2CCN(Cc2csc(-c4ccc(C(F)(F)F)cc4)n2)C3)n(C)c1=O
InChIKey ZQRIIWBOYPCWHS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 476.1

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 6.45 6.45 6.45 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A3 AA3R Human Adenosine A pKi 5.13 5.13 5.13 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.66 6.66 6.66 ChEMBL
A1 AA1R Human Adenosine A pKi 6.63 6.63 6.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database