CHEMBL478217


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

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 362.2

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 9.03 9.03 9.03 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.3 7.3 7.3 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.03 9.03 9.03 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.82 8.82 8.82 ChEMBL