CHEMBL1779810


SMILES C=CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
InChIKey QURSEHRPLOXNGN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 389.1

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
MT1 MTR1A Human Melatonin A pKi 7.28 7.28 7.28 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.62 9.62 9.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 6.73 6.73 6.73 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 8.67 8.67 8.67 ChEMBL