CHEMBL22085


SMILES CCNc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C
InChIKey LFBRGRYXSNFOQV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 460.2

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
A2B AA2BR Human Adenosine A pKi 7.19 7.19 7.19 ChEMBL
A3 AA3R Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
A1 AA1R Human Adenosine A pKi 6.87 6.87 6.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database