GR 218,231


SMILES CCCN([C@@H]1CCc2c(C1)ccc(c2)CS(=O)(=O)c1ccc(cc1)OC)CCC
InChIKey HUXFXXWYIRBVJR-JOCHJYFZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 415.2

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
MT1 MTR1A Human Melatonin A pKi 10.2 10.6 11.0 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.7 10.0 10.3 Guide to Pharmacology
MT1 MTR1A Human Melatonin A pKi 10.1 10.39 10.89 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.66 9.76 9.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TSH TSHR Human Glycoprotein hormone A Potency 6.1 6.1 6.1 ChEMBL
MT1 MTR1A Human Melatonin A pIC50 9.0 9.0 9.0 ChEMBL