CHEMBL277386


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 529.2

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 6.04 6.04 6.04 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.35 7.35 7.35 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.67 8.67 8.67 ChEMBL
A3 AA3R Human Adenosine A pKi 6.67 6.67 6.67 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
A1 AA1R Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database