CHEMBL259105


SMILES Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O
InChIKey XICBEZUAIRPALD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 444.2

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 pKd 6.3 6.3 6.3 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.06 8.06 8.06 ChEMBL
A1 AA1R Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.37 6.37 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database