CHEMBL4300239


SMILES Nc1nc2c(cnn2CCCc2ccc(OCc3ccc(S(=O)(=O)O)cc3)cc2)c2nc(-c3ccco3)nn12
InChIKey ZCGYHWOGFGROOT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 545.1

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
A2A AA2AR Mouse Adenosine A pKi 7.19 7.19 7.19 ChEMBL
A3 AA3R Human Adenosine A pKi 5.58 5.58 5.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.21 8.21 8.21 ChEMBL
A1 AA1R Human Adenosine A pKi 5.38 5.38 5.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 7.99 7.99 7.99 ChEMBL