CHEMBL427016


SMILES CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)[nH]c2n(CCC)c1=O
InChIKey KUJVZIZZBPNWDC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 493.2

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 7.09 7.09 7.09 ChEMBL
A3 AA3R Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.27 6.27 6.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database