CHEMBL560624


SMILES CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCCOC)c1=O
InChIKey UKKHUVHUTYWSMN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 477.2

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
A1 AA1R Rat Adenosine A pKi 7.44 7.44 7.44 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.52 8.52 8.52 ChEMBL
A3 AA3R Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.06 7.06 7.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database