CHEMBL549477


SMILES COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1
InChIKey YFRHZCQZSUBSEY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 324.1

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
A2B AA2BR Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A3 AA3R Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.21 8.21 8.21 ChEMBL
A1 AA1R Human Adenosine A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database