Ligand Id: 1344
Ligand name 2-[125I]MLT

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 Radio analogues
Classification
Compound class Metabolite or derivative
IUPAC Name
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Synonyms
2-iodo-[125I]-melatonin
2[125I]iodomelatonin
2-(125I)Iodomelatonin
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]-acetamide
Database Links
ChEMBL Ligand 145841
PubChem CID 644212
RCSB PDB Ligand ML2
Search on ChemSpider FJDDSMSDZHURBJ-XSBOKVBDSA-N
ZINC ZINC02516056
iPHACE WYRGLTF9

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