CHEMBL239444


SMILES CC(=O)Nc1ccc(OCCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1
InChIKey YJFVQWXUBPEJNU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 412.2

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 5.7 5.7 5.7 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.0 5.0 5.0 ChEMBL
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database