CHEMBL3759802


SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
InChIKey YKMQNVAWVSTIDM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 283.1

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 10.05 10.05 10.05 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.55 8.55 8.55 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.85 6.85 6.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.15 9.15 9.15 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.34 8.34 8.34 ChEMBL