MRS1086


SMILES CCOc1ccc(c(c1)OCC)c1oc2cc(OCC)cc(c2c(=O)c1OCC)OCC
InChIKey JVGSHXMDRPGOQM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight (Da) 442.2

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 4.6 4.6 4.6 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.14 5.14 5.14 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.49 4.49 4.49 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.5 4.5 4.5 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database