CHEMBL407969


SMILES CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CC)c1=O
InChIKey VZYBYMUZWCFKQU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 513.2

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
A2B AA2BR Human Adenosine A pKi 7.6 7.6 7.6 ChEMBL
A3 AA3R Human Adenosine A pKi 5.42 5.42 5.42 ChEMBL
A1 AA1R Human Adenosine A pKi 5.66 5.66 5.66 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.62 5.62 5.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database