MRS923


SMILES COc1ccc(c(c1)OC)c1oc2cc(OC)cc(c2c(=O)c1OC)OC
InChIKey KPJGABLCRGWDRB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 372.1

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 4.3 4.3 4.3 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 4.6 4.6 4.6 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 4.56 4.56 4.56 ChEMBL
A3 AA3R Human Adenosine A pKi 5.58 5.58 5.58 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.33 4.33 4.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database