CHEMBL381917


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey PBLVWNJUSBYJFE-IMIIHFCZSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 561.2

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 6.21 6.21 6.21 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.31 4.31 4.31 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.88 5.88 5.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database