CHEMBL3416804


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCCOC)cc5)CC4)nc32)[C@H](O)[C@@H]1O
InChIKey DHSVSNGIGFVEQT-CMCWBKRRSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 542.3

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 6.53 6.53 6.53 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
A1 AA1R Human Adenosine A pKi 6.83 6.83 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database