CHEMBL16741


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2n(CCC)c1=O
InChIKey KRCHPUAHJLFBTQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
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
A2A AA2AR Rat Adenosine A pKi 6.27 6.27 6.27 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.41 8.41 8.41 ChEMBL
A3 AA3R Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.51 5.51 5.51 ChEMBL
A1 AA1R Human Adenosine A pKi 6.65 6.65 6.65 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.42 7.42 7.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database