CHEMBL437503


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)N[C@@H](C)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey YYTIZLABOXFLTR-OIODXMIOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 455.2

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
A3 AA3R Rat Adenosine A pKi 6.5 6.5 6.5 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.53 5.53 5.53 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.27 6.27 6.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database