CHEMBL3093311


SMILES C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2OC)n(C)c1=O
InChIKey JPSHMMIAEATEIY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 379.2

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 6.19 6.19 6.19 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.97 5.97 5.97 ChEMBL
A1 AA1R Human Adenosine A pKi 6.22 6.22 6.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.38 6.38 6.38 ChEMBL
A3 AA3R Human Adenosine A pKi 5.36 5.36 5.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database