CHEMBL418333


SMILES CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O
InChIKey IWALGNIFYOBRKC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 392.1

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 Guinea pig Adenosine A pKi 6.15 6.15 6.15 ChEMBL
A3 AA3R Rat Adenosine A pKi 4.04 4.04 4.04 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.85 5.95 6.1 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.37 6.7 6.85 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A3 AA3R Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 6.92 6.92 6.92 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL
A1 AA1R Bovine Adenosine A pIC50 8.47 8.47 8.47 ChEMBL