CHEMBL4130003


SMILES Cc1nc2c(N)nc(NCc3ccccc3)nc2s1
InChIKey LCFLUTLCEWLMIC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 271.1

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 5.72 5.72 5.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.27 6.27 6.27 ChEMBL
A1 AA1R Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.74 5.74 5.74 ChEMBL