CHEMBL3931329


SMILES COc1ccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1
InChIKey SRYURLBYUDXQGJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 353.1

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 6.42 6.42 6.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.77 6.77 6.77 ChEMBL
A1 AA1R Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.73 6.82 6.91 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.55 6.55 6.55 ChEMBL