CHEMBL239233


SMILES CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O
InChIKey HXBXPNDMSXEMNX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 395.2

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 6.07 6.07 6.07 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.21 6.21 6.21 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.23 6.23 6.23 ChEMBL
A3 AA3R Human Adenosine A pKi 4.87 4.87 4.87 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.23 6.23 6.23 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database