MRS1066


SMILES CCOc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1
InChIKey TZRUAYHMQMKKLT-CMDGGOBGSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 332.1

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 4.5 4.5 4.5 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 4.4 4.4 4.4 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 4.91 4.91 4.91 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.45 4.45 4.45 ChEMBL
A3 AA3R Human Adenosine A pKi 5.94 5.94 5.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database