CHEMBL17202


SMILES CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O
InChIKey AAYAXEYKWMOSAT-NTCAYCPXSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 499.2

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 6.84 6.84 6.84 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.12 8.12 8.12 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.44 8.44 8.44 ChEMBL
A3 AA3R Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database