CHEMBL218786


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey SMDJQQJFGNCBKK-QFZYRTLPSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 25
Molecular weight (Da) 980.4

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
A1 AA1R Human Adenosine A pKd 6.15 6.15 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 7.92 7.92 7.92 ChEMBL