CHEMBL216750


SMILES CCCn1c(=O)c2nc([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)[nH]c2n(CCC)c1=O
InChIKey OQCJPFYWFGUHIN-KAELQNTISA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 344.2

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
A2A AA2AR Rat Adenosine A pKi 5.9 5.9 5.9 ChEMBL
A1 AA1R Rat Adenosine A pKi 9.15 9.15 9.15 ChEMBL
A3 AA3R Human Adenosine A pKi 5.32 5.32 5.32 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.78 5.78 5.78 ChEMBL
A1 AA1R Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database