CHEMBL4103712


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@@H]1O
InChIKey HKSFAGXGJFDWRL-KWGHVAAJSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 389.1

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
A3 AA3R Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.06 5.06 5.06 ChEMBL
A1 AA1R Human Adenosine A pKi 8.46 8.46 8.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.7 4.7 4.7 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.27 7.27 7.27 ChEMBL