CHEMBL3917647


SMILES Nc1nc(NCCc2cccc(O)c2)nc2sc(-c3ccco3)nc12
InChIKey BPJQHNKRHLCRCJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
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 7.12 7.12 7.12 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.8 7.8 7.8 ChEMBL
A1 AA1R Human Adenosine A pKi 9.64 9.64 9.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.6 7.6 7.6 ChEMBL