CHEMBL145767


SMILES COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1
InChIKey FQZFDCXROFCGHP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 390.1

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
A2B AA2BR Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A3 AA3R Human Adenosine A pKi 6.85 9.35 9.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.28 6.28 6.28 ChEMBL
A1 AA1R Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.74 8.74 8.74 ChEMBL