CHEMBL208824


SMILES Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O
InChIKey BXOBNALLJPAQHL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 404.1

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
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
A1 AA1R Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database