CHEMBL3093318


SMILES C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(C)c1=O
InChIKey POSAETBGNVHIOB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 393.2

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
A1 AA1R Rat Adenosine A pKi 5.5 5.5 5.5 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.29 6.29 6.29 ChEMBL
A1 AA1R Human Adenosine A pKi 5.36 5.36 5.36 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.54 6.54 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database