CHEMBL4063841


SMILES Nc1sc(-c2ccc(C(=O)NCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1
InChIKey HYJFZTMSAYHUCD-VNXSDAFKSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 14
Molecular weight (Da) 801.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 7.2 7.2 7.2 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.44 5.44 5.44 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.02 7.07 7.13 ChEMBL