2-iodo-melatonin

Ligand id: 1343

Name: 2-iodo-melatonin

Structure and Physico-chemical Properties

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 358.02
XLogP 2.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Synonyms
2-I-MLT
2-iodomelatonin
Database Links
BindingDB Ligand 29611
CAS Registry No. 93515-00-5 (source: Scifinder)
ChEBI CHEBI:145841
ChEMBL Ligand CHEMBL289233
DrugBank Ligand DB08190
PubChem CID 115348
RCSB PDB Ligand ML2
Search Google for chemical match using the InChIKey FJDDSMSDZHURBJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FJDDSMSDZHURBJ