CHEMBL3798766


SMILES COc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1
InChIKey AQMYJLYXFKJXMD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 321.1

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
A3 AA3R Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.27 8.27 8.27 ChEMBL
A1 AA1R Human Adenosine A pKi 7.01 7.01 7.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.29 6.29 6.29 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.21 8.21 8.21 ChEMBL
A1 AA1R Human Adenosine A pIC50 6.97 6.97 6.97 ChEMBL