CHEMBL3093320


SMILES C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cccs2)n(C)c1=O
InChIKey ITEITABOOPXFSB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 369.1

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 6.15 6.15 6.15 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.5 6.5 6.5 ChEMBL
A1 AA1R Human Adenosine A pKi 5.85 5.85 5.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database