CHEMBL314539


SMILES CCCn1c(=O)c2nc(C3CCC(OC(=O)c4cccc(S(=O)(=O)F)c4)C3)[nH]c2n(CCC)c1=O
InChIKey MZGBCGAANFHDOD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 506.2

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
A1 AA1R Human Adenosine A pKd 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.1 7.1 7.1 ChEMBL