PD81723


SMILES Nc1sc(c(c1C(=O)c1cccc(c1)C(F)(F)F)C)C
InChIKey KKDKAWKYGCUOGR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 299.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pKi 4.96 4.96 4.96 ChEMBL
A1 AA1R Human Adenosine A pKd 8.74 8.94 9.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 4.83 4.83 4.83 ChEMBL
A1 AA1R Human Adenosine A pEC50 4.87 5.27 5.77 ChEMBL