CHEMBL203667


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey SDALNHRMLOKYJO-YRIIQKNPSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 9
Molecular weight (Da) 599.2

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 7.05 7.05 7.05 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.84 4.84 4.84 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.78 5.78 5.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database