CHEMBL1181982


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1
InChIKey JLPJCDMYSOLSKQ-UHFFFAOYSA-O

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 390.1

Drug properties

Molecular type Small molecule
Endogenous/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 8.28 8.28 8.28 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.38 7.38 7.38 ChEMBL
A1 AA1R Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.61 6.61 6.61 ChEMBL