CHEMBL4126427


SMILES Cc1nc2c(N)nc(NCCc3cccs3)nc2s1
InChIKey MCEXUYHFWKYLLR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 291.1

Drug properties

Molecular type Small molecule
Endogenous/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 5.82 5.82 5.82 ChEMBL
A1 AA1R Human Adenosine A pKi 7.04 7.04 7.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 6.97 6.97 6.97 ChEMBL
A2A AA2AR Human Adenosine A pIC50 6.99 7.04 7.08 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.87 6.87 6.87 ChEMBL