CHEMBL225459


SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey OXLUZSPXALFOBX-NVQRDWNXSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 504.1

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
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.82 6.82 6.82 ChEMBL
A3 AA3R Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 7.4 7.4 7.4 ChEMBL
A2B AA2BR Human Adenosine A pEC50 6.89 6.92 6.96 ChEMBL