CHEMBL4457917


SMILES COc1cccc(-c2nc(N)c3nc(-c4ccco4)sc3n2)c1
InChIKey AUNXSAUXRUCPOQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 324.1

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
A3 AA3R Human Adenosine A pKi 8.31 8.31 8.31 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.72 8.72 8.72 ChEMBL
A1 AA1R Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database