CHEMBL168018


SMILES CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1
InChIKey WUHIIHNZITXJEK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 402.2

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
A3 AA3R Human Adenosine A pKi 6.82 9.39 9.82 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
A1 AA1R Human Adenosine A pKi 6.75 6.75 6.75 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database