CHEMBL490595


SMILES COc1ccc2cc(-c3cccc(CBr)c3)cc(CCNC(C)=O)c2c1
InChIKey RAMUUOBCITZZIE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 411.1

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 9.25 9.25 9.25 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.29 7.29 7.29 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.25 9.25 9.25 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.0 9.0 9.0 ChEMBL