MRS1041


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

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 354.1

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
A2A AA2AR Human Adenosine A pKi 5.5 5.5 5.5 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.4 6.4 6.4 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 6.2 6.2 6.2 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 4.74 4.74 4.74 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.22 6.22 6.22 ChEMBL
A3 AA3R Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database