CHEMBL123705


SMILES CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12
InChIKey IOICVMMVGWPRCC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 360.1

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 8.22 8.22 8.22 ChEMBL
A3 AA3R Human Adenosine A pKi 9.02 9.08 9.21 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A1 AA1R Human Adenosine A pKi 8.4 8.4 8.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 9.21 9.21 9.21 ChEMBL