CHEMBL4794145


SMILES CCOC(=O)CC[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C(=O)OCC
InChIKey UCVNXHPZKJNLTN-ZDUSSCGKSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 441.2

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 8.12 8.12 8.12 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.57 5.57 5.57 ChEMBL
A1 AA1R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database