CHEMBL2181139


SMILES COc1ccc(CCNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC
InChIKey DXMBXEZNSPKQQU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 419.2

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 5.41 5.41 5.41 ChEMBL
A3 AA3R Human Adenosine A pKi 7.42 7.42 7.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.03 7.03 7.03 ChEMBL
A1 AA1R Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database