CHEMBL1076587


SMILES O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1
InChIKey XTKWYENKGIRGAI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 333.1

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 8.7 8.7 8.7 ChEMBL
A3 AA3R Human Adenosine A pKi 6.15 6.15 6.15 ChEMBL
A1 AA1R Human Adenosine A pKi 7.85 7.85 7.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.24 7.24 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database