CHEMBL333860


SMILES CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCCC)cc3)nn12
InChIKey ODRIUSPRMZPRHG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 350.2

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 7.68 7.68 7.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.31 7.31 7.31 ChEMBL
A1 AA1R Human Adenosine A pKi 7.5 7.5 7.5 ChEMBL
A3 AA3R Human Adenosine A pKi 9.29 9.29 9.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 9.52 9.52 9.52 ChEMBL