MRS1065


SMILES COc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1
InChIKey HTBFQFPYNPJVLO-BQYQJAHWSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 318.1

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 4.9 4.9 4.9 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 4.5 4.5 4.5 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 4.49 4.49 4.49 ChEMBL
A3 AA3R Human Adenosine A pKi 5.08 5.08 5.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database