MRS1093


SMILES CCOc1cc(O)c2c(c1)oc(c(c2=O)OCC)c1ccccc1
InChIKey ZPEWNDIPSPULBP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 326.1

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 Human Adenosine A pKi 9.2 9.2 9.2 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.1 6.1 6.1 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 5.7 5.7 5.7 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 5.72 5.72 5.72 ChEMBL
A3 AA3R Human Adenosine A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database