General
Preferred name
IODOMELATONIN
Synonyms
2-Iodomelatonin ()
Melatonin,2-Iodo ()
2-[125I]melatonin ()
2-iodo-melatonin ()
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide ()
2-[125I]melatonin ()
P&D ID
PD004660
CAS
93515-00-5
140671-15-4
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
High affinity melatonin agonist
(Tocriscreen Total)
DESCRIPTION
Highly potent H3 antagonist and H4 partial agonist
(Tocris Bioactive Compound Library)
DESCRIPTION
2-Iodomelatonin is a potent agonist of the melatonin receptors 1 (MT1) with Ki value of 28 pM. It could be used to identify, characterize and localize melatonin binding sites in the brain and peripheral tissues. It inhibits forskolin-stimulated cAMP production in CHO cells expressing human MT1 30-fold more potently than melatonin. It has been used to characterize the role of MT1 in melatonin-mediated signaling. It is useful in receptor binding studies with radioactive iodomelatonin.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
19
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMatrix
EUbOPEN Chemogenomics Library
Ki Database
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Tocris Bioactive Compound Library
Tocriscreen Total
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Molecular Weight
358.02
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
2.46
TPSA
54.12
Fraction CSP3
0.31
Chiral centers
0.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Melatonin Receptors
MOA
Agonist
MTNR1A agonist
MTNR1B agonist
Melatonin receptor agonist
Member status
member
Target
MTNR1A, MTNR1B, NQO2
Melatonin Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Recommended Cell Concentration
None
Source data
