CHEMBL1834624


SMILES Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1
InChIKey HOFPPTWCRGPGPM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 452.1

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 8.46 8.46 8.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.44 4.44 4.44 ChEMBL
A1 AA1R Human Adenosine A pKi 4.89 4.89 4.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database