CHEMBL429131


SMILES CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
InChIKey RGPCIPPBXWHJOD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 331.1

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
A3 AA3R Human Adenosine A pKi 8.85 8.85 8.85 ChEMBL
A1 AA1R Human Adenosine A pKi 5.68 5.68 5.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.9 8.9 8.9 ChEMBL