CHEMBL4764086


SMILES O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccccc1
InChIKey NJTBKCWDDYQTJT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 418.1

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
A2A AA2AR Rat Adenosine A pKi 5.78 5.78 5.78 ChEMBL
A1 AA1R Rat Adenosine A pKi 9.03 9.37 10.06 ChEMBL
A3 AA3R Human Adenosine A pKi 6.37 6.37 6.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.41 7.41 7.41 ChEMBL
A1 AA1R Human Adenosine A pKi 7.61 7.61 7.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 9.0 9.68 10.03 ChEMBL