CHEMBL122622


SMILES N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1
InChIKey OFHKDLYFKPBXER-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 348.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8RLN

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 9.0 9.0 9.0 ChEMBL
A2B AA2BR Human Adenosine A pKd 5.51 5.51 5.51 ChEMBL
A3 AA3R Human Adenosine A pKi 6.27 6.27 6.27 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.55 7.55 7.55 ChEMBL
A1 AA1R Human Adenosine A pKi 8.59 8.59 8.59 ChEMBL
A1 AA1R Human Adenosine A pKd 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 7.92 7.92 7.92 ChEMBL