CHEMBL1779804


SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
InChIKey QDUMTUZTHHQTAT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 363.1

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
MT2 MTR1B Human Melatonin A pKi 9.06 9.06 9.06 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.24 7.24 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.19 9.19 9.19 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 6.7 6.7 6.7 ChEMBL