CHEMBL4784975


SMILES O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(F)cc2F)s1)c1ccccc1
InChIKey TZEPHGNXKFLTDO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 420.1

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
A1 AA1R Rat Adenosine A pKi 8.53 8.54 8.55 ChEMBL
A3 AA3R Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.11 7.11 7.11 ChEMBL
A1 AA1R Human Adenosine A pKi 7.26 7.26 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 8.5 8.68 9.05 ChEMBL