CHEMBL410104


SMILES NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey GMXUEMZFNYPWFA-NVQRDWNXSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 7
Molecular weight (Da) 519.1

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
A2A AA2AR Human Adenosine A pKi 5.69 5.69 5.69 ChEMBL
A1 AA1R Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.76 6.76 6.76 ChEMBL