CHEMBL401028


SMILES Cn1c(=O)c2c(nc3n2CCCN3CCNCc2ccccc2)n(C)c1=O
InChIKey NMGAXSONNKMDIR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 368.2

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 4.7 4.7 4.7 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.12 5.12 5.12 ChEMBL
A2B AA2BR 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