melatonin

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


Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: EMA (2005))
DrugBank groups approved; nutraceutical
IUPAC Name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Synonyms
MLT
Database Links
CAS Registry No. 73-31-4
ChEBI CHEBI:16796
ChEMBL Ligand CHEMBL45
DrugBank Ligand DB01065
Human Metabolome Database HMDB01389
NURSA Ligand li52
PharmGKB Drug PA164752558
PubChem CID 896
RCSB PDB Ligand ML1
Search Google for chemical match using the InChIKey DRLFMBDRBRZALE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DRLFMBDRBRZALE
Wikipedia Melatonin
ZINC ZINC00057060