CHEMBL4277390


SMILES CCNC(=S)NCC1CCc2ccc3ccc(OC)cc3c21
InChIKey MLTPCDWECFSPOI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 314.1

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 8.7 8.7 8.7 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.54 7.54 7.54 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.3 7.3 7.3 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.16 7.16 7.16 ChEMBL