CHEMBL254896


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

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 458.1

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
A1 AA1R Bovine Adenosine A pKi 6.21 6.21 6.21 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.92 4.92 4.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.08 6.08 6.08 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.8 4.8 4.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database