CHEMBL572765


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey TWURXTVPZRAVFY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 392.1

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 6.47 8.97 9.47 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.65 6.65 6.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.52 8.52 8.52 ChEMBL