CHEMBL275149


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O
InChIKey HMEDGXBEDQKBKZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 565.3

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 6.78 6.78 6.78 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.01 8.01 8.01 ChEMBL
A3 AA3R Human Adenosine A pKi 6.55 6.55 6.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.19 6.19 6.19 ChEMBL
A1 AA1R Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.56 5.56 5.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database