CHEMBL21572


SMILES CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C
InChIKey JEUBWTWZNZWFQP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 463.1

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
A2B AA2BR Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
A3 AA3R Human Adenosine A pKi 6.96 6.96 6.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.39 8.39 8.39 ChEMBL
A1 AA1R Human Adenosine A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.33 6.33 6.33 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.67 7.67 7.67 ChEMBL