CHEMBL486745


SMILES COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1F
InChIKey MHSIRMSFRHMBDY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 355.1

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
A2A AA2AR Rat Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.22 9.22 9.22 ChEMBL
A1 AA1R Human Adenosine A pKi 6.96 6.96 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.5 7.5 7.5 ChEMBL