CHEMBL2180906


SMILES Cn1cc2c(nc(NC(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1
InChIKey MKTDHKFRAQCBTM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 421.2

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 9.08 9.08 9.08 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.05 6.05 6.05 ChEMBL
A1 AA1R Human Adenosine A pKi 6.77 6.77 6.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database