CHEMBL254693


SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O
InChIKey YBQQLLKWBSKWCA-HOUWJUEGSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 442.1

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 Bovine Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.51 4.51 4.51 ChEMBL
A1 AA1R Human Adenosine A pKi 5.32 5.32 5.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database