CHEMBL2413113


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O
InChIKey JEXFNNUDLKOIMC-CMCWBKRRSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 13
Molecular weight (Da) 570.2

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
A2A AA2AR Human Adenosine A pKi 5.21 5.21 5.21 ChEMBL
A3 AA3R Human Adenosine A pKi 7.62 7.62 7.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database