MRS1523


SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC
InChIKey UUSHFEVEROROSP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 399.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 6.5 6.5 6.5 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 8.2 8.2 8.2 Guide to Pharmacology
A1 AA1R Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.22 7.22 7.22 ChEMBL