CHEMBL200779


SMILES CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)[nH]c2n(CCC)c1=O
InChIKey BVWSIHNUHWGLEX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 460.2

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
A2B AA2BR Human Adenosine A pKi 9.0 9.0 9.0 ChEMBL
A3 AA3R Human Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A1 AA1R Human Adenosine A pKi 6.43 6.43 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database