CHEMBL561364


SMILES CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCCOC)c1=O
InChIKey AKZIEFVYNBPYOK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 519.2

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
A3 AA3R Human Adenosine A pKi 6.15 6.15 6.15 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.83 6.83 6.83 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.93 7.93 7.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database