MRS1097


SMILES CCOC(=O)C1=C(C)NC(=C(C1/C=C/c1ccccc1)C(=O)OCC)c1ccccc1
InChIKey XCXCNPNUEPMYRS-WUKNDPDISA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 417.2

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
A3 AA3R Human Adenosine A pKi 7.0 7.0 7.0 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 5.38 5.38 5.38 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.32 5.32 5.32 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.23 5.23 5.23 ChEMBL
A3 AA3R Human Adenosine A pKi 6.96 6.97 6.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database