CHEMBL17341


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O
InChIKey SZTYGIVWLSLJRO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 503.2

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 6.36 6.36 6.36 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.55 7.55 7.55 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.56 8.56 8.56 ChEMBL
A3 AA3R Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.37 6.37 6.37 ChEMBL
A1 AA1R Human Adenosine A pKi 6.47 6.47 6.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database