CHEMBL280888


SMILES CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C
InChIKey RZTHAJGTOALPFX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 329.1

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
A2B AA2BR Human Adenosine A pKi 7.16 7.16 7.16 ChEMBL
A3 AA3R Human Adenosine A pKi 6.65 6.65 6.65 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.68 8.68 8.68 ChEMBL
A1 AA1R Human Adenosine A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.07 6.07 6.07 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.83 7.83 7.83 ChEMBL