MRS1042


SMILES CCCOc1cc(OCCC)c2c(c1)oc(c(c2=O)OCCC)c1ccccc1
InChIKey ABZJCSJCNNCZRY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 396.2

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 5.5 5.5 5.5 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.5 6.5 6.5 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 6.0 6.0 6.0 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A3 AA3R Human Adenosine A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database