Ligand Id: 224
Ligand name melatonin

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 54.12
Molecular weight 232.12
XLogP 1.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
DrugBank groups approved; nutraceutical
IUPAC Name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Summary of Clinical Use
Melatonin is used in the treatment of insomnia and is also a powerful antioxidant
Synonyms
circadin
melatol
melatonine
melovine
MLT
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
N-acetyl-5-methoxytryptamine
regulin
Database Links
CAS Registry No. 73-31-4 (source: DrugBank)
ChEBI CHEBI:16796
ChEMBL Ligand 103012
DrugBank Ligand DB01065
Human Metabolome Database HMDB01389
NURSA Ligand li52
PharmGKB Drug PA164752558
PubChem CID 896
RCSB PDB Ligand ML1
Search on ChemSpider DRLFMBDRBRZALE-UHFFFAOYSA-N
Wikipedia Melatonin
ZINC ZINC00057060
iPHACE M2GYXCAC

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org