CHEMBL1095488


SMILES Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O
InChIKey BCDASHXLAMCATI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 402.2

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
A3 AA3R Human Adenosine A pKi 6.37 6.37 6.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.12 8.17 8.19 ChEMBL
A1 AA1R Human Adenosine A pKi 7.32 7.32 7.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.64 6.64 6.64 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.32 7.32 7.32 ChEMBL