CHEMBL275427


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 495.2

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 6.0 6.0 6.0 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.2 8.2 8.2 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.1 8.36 8.61 ChEMBL
A3 AA3R Human Adenosine A pKi 5.73 5.73 5.73 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.72 6.72 6.73 ChEMBL
A1 AA1R Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database