CHEMBL399514


SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O
InChIKey HRNDSWNULCAEJC-UOYMAUKRSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 456.1

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 4.82 6.0 7.18 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.55 5.55 5.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.06 5.06 5.06 ChEMBL
A1 AA1R Human Adenosine A pKi 6.45 6.45 6.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database