CHEMBL207529


SMILES c1ccc(-c2nc(-c3ccccc3)c3nc(C4CCCCC4)nc-3[nH]2)cc1
InChIKey IGJKVZBNIOTBGI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 354.2

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 6.7 6.7 6.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.93 6.93 6.93 ChEMBL
A1 AA1R Human Adenosine A pKi 9.14 9.14 9.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 6.32 6.32 6.32 ChEMBL