CHEMBL478438


SMILES COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(=O)C3CCC3)c2c1
InChIKey CIIZALZCWRDKFN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 389.2

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 7.32 7.32 7.32 ChEMBL
MT1 MTR1A Human Melatonin A pKi 5.82 5.82 5.82 ChEMBL
MT2 MTR1B Human Melatonin A pKi 7.32 7.32 7.32 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database