CHEMBL4104819


SMILES Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1
InChIKey XLCQNEBOQXQNGA-IYRWRCLLSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 15
Molecular weight (Da) 815.3

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 4.09 6.86 8.34 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.94 6.02 6.1 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.64 6.03 6.41 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.03 6.89 7.37 ChEMBL