CHEMBL17173


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O
InChIKey NIXWFDNYUWLKLC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 508.2

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 6.9 6.9 6.9 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.96 7.96 7.96 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.58 7.58 7.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.71 5.71 5.71 ChEMBL
A1 AA1R Human Adenosine A pKi 5.52 5.52 5.52 ChEMBL
A3 AA3R Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database