CHEMBL4281915


SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c21
InChIKey BFMFHHBVYCVTTH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 300.1

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
MT2 MTR1B Human Melatonin A pKi 8.05 9.19 10.0 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.0 7.97 8.52 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.52 7.79 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.22 8.22 8.22 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.0 8.05 8.1 ChEMBL