Melatonin

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(New page: Pubchem(896) Chembank(988) A biogenic amine that is found in animals and plants. In mammals, melatonin is produced by the PINEAL GLAND. Its secretion increases in darkness and decreases d...)
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Pubchem(896) Chembank(988)
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A biogenic amine that is found in animals and plants. In mammals, melatonin is produced by the PINEAL GLAND. Its secretion increases in darkness and decreases during exposure to light. Melatonin is implicated in the regulation of SLEEP, mood, and REPRODUCTION. Melatonin is also an effective antioxidant.
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Therapeutic Indications
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*Neoplasms 1516565
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==Description==
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A biogenic amine that is found in animals and plants. In mammals,  melatonin is produced by the PINEAL GLAND. Its secretion increases in  darkness and decreases during exposure to light. Melatonin is  implicated in the regulation of SLEEP, mood, and REPRODUCTION.  Melatonin is also an effective antioxidant.
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==General Properties==
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<b>*Molecular Weight</b>
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Therapeutic Uses
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*anti-neoplastic 1516565
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232.28
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NEXT BIO Database
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'''Drug Type:''' Small Molecule; Approved
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<b>*Molecular Formula</b>
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'''Pharmacology:''' Melatonin is a hormone normally produced in the pineal gland and released into the blood. The essential amino acid L-tryptophan is a precursor in the synthesis of melatonin. It helps regulate sleep-wake cycles or the circadian rhythm. Production of melatonin is stimulated by darkness and inhibited by light. High levels of melatonin induce sleep and so consumption of the drug can be used to combat insomnia and jet lag.
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C<sub>1</sub><sub>3</sub>H<sub>1</sub><sub>6</sub>N<sub>2</sub>O<sub>2</sub>
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'''Mechanism of Action:''' Melatonin is a derivative of tryptophan. It binds to melatonin receptor type 1A, which then acts on adenylate cylcase and the inhibition of a cAMP signal transduction pathway. Melatonin not only inhibits adenylate cyclase, but it also activates phosphilpase C. This potentiates the release of arachidonate.
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<b>*IUPAC NAME</b>
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'''Indication:''' For the treatment of insomnia and jet lag
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'''Half Life:''' 35 to 50 minutes
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N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
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'''NASID DATABASE'''
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Lipinski’s “Rule of Five” Prediction for a Compound’s ABSORPTION OR PERMEABILITY PROPERTIES
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4 GOOD
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3 INDETERMINATE
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2 INDETERMINATE
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1 INDETERMINATE
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0 POOR
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<b>*Canonical Smiles</b>
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KEGG Pathway(C01598)
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Tryptophan metabolism
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Neuroactive ligand-receptor interaction
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CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
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{| border="1;width:100%; height:200px;style=text-align:center"
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<b>*Isomeric Smiles</b>
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! style="background:brown; color:white" |MMDB ID
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! style="background:brown; color:white" |PDB ID
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! style="background:brown; color:white" |Reference
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==PhysioChemical Properties==
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|64112
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|2QWX
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<b>*Melting Point</b>
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|66545
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117(EXP)
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|2QX4
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<b>*LogP</b>
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|66546
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|2QX6
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1.65(EST)
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|Reference: Calamini B, Santarsiero BD, Boutin JA, Mesecar ADKinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2Biochem. J. v413, p.81-91
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<b>*Water Solubility</b>
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|}
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==External Links==
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*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=896]Pubchem
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*[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=2QWX]]2QWX,[[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=2QX4]]2QX4,[[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=2QX6]]2QX6,
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*[http://www.genome.jp/dbget-bin/www_bget?compound+C01598]KEGG Compound
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*[http://www.hmdb.ca/metabolites/HMDB01389]Human Metabolome DataBase
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*[http://www.drugbank.ca/drugs/DB01065]Drugbank
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[[Categories:Hormones]]
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Revision as of 06:50, 24 October 2008

Pubchem(896) Chembank(988)

A biogenic amine that is found in animals and plants. In mammals, melatonin is produced by the PINEAL GLAND. Its secretion increases in darkness and decreases during exposure to light. Melatonin is implicated in the regulation of SLEEP, mood, and REPRODUCTION. Melatonin is also an effective antioxidant.

Therapeutic Indications

  • Neoplasms 1516565

Therapeutic Uses

  • anti-neoplastic 1516565

NEXT BIO Database Drug Type: Small Molecule; Approved

Pharmacology: Melatonin is a hormone normally produced in the pineal gland and released into the blood. The essential amino acid L-tryptophan is a precursor in the synthesis of melatonin. It helps regulate sleep-wake cycles or the circadian rhythm. Production of melatonin is stimulated by darkness and inhibited by light. High levels of melatonin induce sleep and so consumption of the drug can be used to combat insomnia and jet lag.

Mechanism of Action: Melatonin is a derivative of tryptophan. It binds to melatonin receptor type 1A, which then acts on adenylate cylcase and the inhibition of a cAMP signal transduction pathway. Melatonin not only inhibits adenylate cyclase, but it also activates phosphilpase C. This potentiates the release of arachidonate.

Indication: For the treatment of insomnia and jet lag Half Life: 35 to 50 minutes

NASID DATABASE Lipinski’s “Rule of Five” Prediction for a Compound’s ABSORPTION OR PERMEABILITY PROPERTIES 4 GOOD 3 INDETERMINATE 2 INDETERMINATE 1 INDETERMINATE 0 POOR

KEGG Pathway(C01598) Tryptophan metabolism Neuroactive ligand-receptor interaction

Table I:
MMDB ID PDB ID Reference
64112 2QWX
66545 2QX4
66546 2QX6 Reference: Calamini B, Santarsiero BD, Boutin JA, Mesecar ADKinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2Biochem. J. v413, p.81-91
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