CHEMBL331111


SMILES CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OC)cc3)nn12
InChIKey MQQDQTRQZFWLNZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 322.2

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 5.99 5.99 5.99 ChEMBL
A3 AA3R Human Adenosine A pKi 9.74 9.74 9.74 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.05 6.05 6.05 ChEMBL
A1 AA1R Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 5.8 5.8 5.8 ChEMBL