CHEMBL552304


SMILES CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccnc4)cc3)nc2n(CCCOC)c1=O
InChIKey ATJXEJOSDSEZMI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 478.2

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
A2B AA2BR Human Adenosine A pKi 7.47 7.47 7.47 ChEMBL
A3 AA3R Human Adenosine A pKi 7.02 7.02 7.02 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.12 6.12 6.12 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database