Melatonin,6-Methoxy


SMILES CC(C)(C)OC(=O)N(C)CC(CN(C)C(=O)OC(C)(C)C)CSP(=O)(O)O.CNCC(CNC)CSP(=O)(OCOC(=O)C1=CC=CC=C1)OCOC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)OCCl
InChIKey ZKEIOSAHACYXEB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 4
Rotatable bonds 24
Molecular weight (Da) 1094.3

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
MT1 MTR1A Human Melatonin A pKi 6.68 6.68 6.68 PDSP Ki database
MT2 MTR1B Human Melatonin A pKi 8.46 8.46 8.46 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database