CHEMBL16929


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 479.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.57 6.57 6.57 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.65 8.65 8.65 ChEMBL
A3 AA3R Human Adenosine A pKi 6.41 6.41 6.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.78 7.78 7.78 ChEMBL
A1 AA1R Human Adenosine A pKi 7.74 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database