CHEMBL452454


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O
InChIKey SSIOBYFRODJHEE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 563.2

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
A2B AA2BR Human Adenosine A pKi 7.62 7.62 7.62 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.55 7.55 7.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database