CHEMBL178662


SMILES CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(C(F)(F)F)cc5)n4)cc3)[nH]c2n(CCC)c1=O
InChIKey SEEWEGGTAWVJKR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 554.2

Drug properties

Molecular type Small molecule
Endogenous/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 5.31 5.31 5.31 ChEMBL
A1 AA1R Human Adenosine A pKi 5.29 5.29 5.29 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.59 6.59 6.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database