CHEMBL487569


SMILES COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIKey XGFRRYAZOMJDQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 367.2

Drug properties

Molecular type Small molecule
Endogenous/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 8.52 8.52 8.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.7 9.71 9.72 ChEMBL
A1 AA1R Human Adenosine A pKi 7.66 7.66 7.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pIC50 7.54 7.54 7.54 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.77 7.77 7.77 ChEMBL