CHEMBL4784043


SMILES Nc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)cn2c(=O)n(-c3ccccc3)nc12
InChIKey WBXYUQQMXZEFHT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
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
A3 AA3R Human Adenosine A pKi 5.16 5.16 5.16 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.24 6.24 6.24 ChEMBL
A1 AA1R Human Adenosine A pKi 5.64 5.64 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database