CHEMBL572601


SMILES CCCCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1
InChIKey BWVWAUCUOBLJRU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 421.1

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 6.72 6.72 6.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.5 8.5 8.5 ChEMBL
A1 AA1R Human Adenosine A pKi 7.59 7.59 7.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.04 6.04 6.04 ChEMBL