CHEMBL453138


SMILES COc1ccc2cc(-c3ccccc3)cc(CCNC(C)=O)c2c1
InChIKey YJZBNOXVCJWRGJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 319.2

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 9.43 9.43 9.43 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.28 7.28 7.28 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.43 9.43 9.43 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.62 8.62 8.62 ChEMBL