CHEMBL4281712


SMILES COc1ccc2ccc3c(c2n1)C(CNC(C)=O)CC3
InChIKey VRXWYUUUGIBVNR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 270.1

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 9.4 9.4 9.4 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 10.3 10.3 10.3 ChEMBL