CHEMBL164325


SMILES CCCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1
InChIKey WWOJSFIUZDNCOE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 446.2

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 6.82 6.82 6.82 ChEMBL
A3 AA3R Human Adenosine A pKi 6.22 8.72 9.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.02 7.02 7.02 ChEMBL
A1 AA1R Human Adenosine A pKi 6.61 6.61 6.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database