CHEMBL377291


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O
InChIKey RMHGHWPCCLKLAE-PFHKOEEOSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 431.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.15 6.15 6.15 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.73 5.73 5.73 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database