CHEMBL4293386


SMILES COc1ccc2ccc3c(c2c1)C(CNC(C)=O)CC3
InChIKey VABVTFAPCKMYHN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 269.1

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 9.7 9.7 9.7 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.52 9.52 9.52 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.7 9.7 9.7 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 9.05 9.05 9.05 ChEMBL