CHEMBL5197574


SMILES Nc1sc(-c2ccc(-c3cn(CCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1
InChIKey LLIMHIKUYCHLCJ-VAXJMDPPSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 825.3

Drug properties

Molecular type Small molecule
Endogenous/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
A1 AA1R Human Adenosine A pEC50 5.85 6.67 7.48 ChEMBL