CHEMBL122819


SMILES CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCC)cc3)nn12
InChIKey JSVCNDDQYUWICG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 336.2

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 6.08 6.08 6.08 ChEMBL
A3 AA3R Human Adenosine A pKi 9.05 9.05 9.05 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.24 6.24 6.24 ChEMBL
A1 AA1R Human Adenosine A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 9.68 9.68 9.68 ChEMBL
A2A AA2AR Human Adenosine A pIC50 5.42 5.42 5.42 ChEMBL