CHEMBL3093317


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 379.2

Drug properties

Molecular type Small molecule
Physiological/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 6.56 6.56 6.56 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.3 6.3 6.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A1 AA1R Human Adenosine A pKi 5.08 5.08 5.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database