CHEMBL55084


SMILES COc1cc2c(CCNC(C)=O)c(I)n(C)c2cc1[N+](=O)[O-]
InChIKey LJHSESASYKZFCE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 417.0

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 9.11 9.11 9.11 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database