CHEMBL165224


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1
InChIKey MWPIAGIXDKLYME-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 418.1

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
A2B AA2BR Human Adenosine A pKi 6.85 6.85 6.85 ChEMBL
A3 AA3R Human Adenosine A pKi 9.62 9.62 9.62 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
A1 AA1R Human Adenosine A pKi 5.99 5.99 5.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.49 8.49 8.49 ChEMBL