CHEMBL603809


SMILES CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCN(C)CC4)nc32)[C@H](O)[C@@H]1O
InChIKey WKMDMQGIZQDCQF-BITNSZHFSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 444.2

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
A2A AA2AR Rat Adenosine A pKi 7.72 7.72 7.72 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.45 7.45 7.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 6.39 6.39 6.39 ChEMBL
A1 AA1R Rat Adenosine A pEC50 6.06 6.06 6.06 ChEMBL