CHEMBL17123


SMILES CCCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CCCC)c1=O
InChIKey XOJJNLCMZUFINT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 414.2

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
A3 AA3R Rat Adenosine A pKi 4.56 5.06 5.56 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.06 6.06 6.06 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.37 7.37 7.37 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.32 7.32 7.32 ChEMBL
A3 AA3R Human Adenosine A pKi 7.04 7.04 7.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.59 5.59 5.59 ChEMBL
A1 AA1R Human Adenosine A pKi 6.83 6.83 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database