CHEMBL4289115


SMILES COc1ccc2ccc3c(c2c1)C(CNC(N)=S)CC3
InChIKey HWMXBPNNULQCOI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 286.1

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 9.4 9.4 9.4 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.22 8.22 8.22 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.14 7.14 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.3 8.3 8.3 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.8 7.8 7.8 ChEMBL