CHEMBL3986016


SMILES c1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc23)cc1
InChIKey VUYDJBYOJKYWBY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 328.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A1 AA1R Human Adenosine A pKi 5.47 5.47 5.47 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.5 5.5 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database