CHEMBL4076880


SMILES COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)c2)c1
InChIKey ACAPPVZXNGABBJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 348.1

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 7.02 7.02 7.02 ChEMBL
A3 AA3R Human Adenosine A pKi 7.83 7.83 7.83 ChEMBL
A1 AA1R Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database