Ligand Id: 1343
Ligand name 2-iodo-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 358.02
XLogP 2.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Synonyms
2-I-MLT
2-iodomelatonin
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Database Links
BindingDB Ligand 29611
CAS Registry No. 93515-00-5 (source: Scifinder)
ChEBI CHEBI:145841
ChEMBL Ligand 145841
DrugBank Ligand DB08190
PubChem CID 115348
RCSB PDB Ligand ML2
Search on ChemSpider FJDDSMSDZHURBJ-UHFFFAOYSA-N
ZINC ZINC02516056

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