CHEMBL217952


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)Cc4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey MXNGBNYQJCQGEV-PFHKOEEOSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 481.1

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 7.6 7.6 7.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.2 6.2 6.2 ChEMBL
A1 AA1R Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.22 6.22 6.22 ChEMBL