CHEMBL124345


SMILES N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1
InChIKey MUJWBVGOOQHTTJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 332.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7ARO

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
A3 AA3R Human Adenosine A pKi 6.77 7.07 7.38 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.55 7.84 8.13 ChEMBL
A2A AA2AR Human Adenosine A pKd 7.97 7.97 7.97 ChEMBL
A1 AA1R Human Adenosine A pKi 8.52 8.57 8.62 ChEMBL
A1 AA1R Human Adenosine A pKd 6.51 6.51 6.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 7.72 7.72 7.72 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.01 8.01 8.01 ChEMBL