Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T97613 | Target Info | |||
| Target Name | Melatonin receptor type 1A (MTNR1A) | ||||
| Synonyms |
Mel1a receptor; Mel1AR; Mel-1A-R
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| Target Type | Successful Target | ||||
| Gene Name | MTNR1A | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 7 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
SEROTONIN
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Investigative | Compound Info | ||
| Synonyms |
serotonin; 5-HYDROXYTRYPTAMINE; 3-(2-Aminoethyl)-1H-indol-5-ol; 50-67-9; Enteramine; 5-HT; Serotonine; Thrombotonin; Thrombocytin; Antemovis; Ds substance; Hippophain; Antemoqua; Substance DS; Substanz DS; 1H-Indol-5-ol, 3-(2-aminoethyl)-; 5-Hta; Tryptamine, 5-hydroxy-; 3-(2-Aminoethyl)indol-5-ol; Enteramin; UNII-333DO1RDJY; Indol-5-ol, 3-(2-aminoethyl)-; 5-Hydroxy-3-(beta-aminoethyl)indole; 3-(beta-Aminoethyl)-5-hydroxyindole; EINECS 200-058-9; 3-(2-Amino-ethyl)-1H-indol-5-ol; BRN 0143524; 333DO1RDJY; CHEBI:28790
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
4-[[(E)-3,7-Dimethyl-2,6-octadienyl]oxy]-3-methoxycinnamic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL221960; 4'-Geranyloxyferulic Acid; SCHEMBL18265477; BDBM50354139; (E)-3-[3-Methoxy-4-(3,7-dimethyl-2,6-octadienyloxy)phenyl]propenoic acid; 3-[3-Methoxy-4-(3,7-dimethyl-2,6-octadiene-1-yloxy)phenyl]acrylic acid; (2e)-3-(4-{[(2e)-3,7-dimethylocta-2,6-dienyl]oxy}-3-methoxyphenyl)prop-2-enoic acid; (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-enoic acid; 3-[3-Methoxy-4-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]phenyl]propenoic acid
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| Activity |
Ki = 59000 nM
|
[2] | |||
| Compound Name |
N-[2-(4-Methoxyphenoxy)ethyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1223054; N-(2-(4-Methoxyphenoxy)ethyl)acetamide; TimTec1_006601; HMS1552M01; ALBB-025939; ZINC4653432; BDBM50416687; MFCD03195978; SBB072757; STK663474; AKOS003292575; MCULE-4019347517; ST4093335; acetamide, N-[2-(4-methoxyphenoxy)ethyl]-; N~1~-[2-(4-methoxyphenoxy)ethyl]acetamide; R6615
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| Activity |
Ki = 61659.5 nM
|
[3] | |||
| Compound Name |
Acetamide, N-[(1R)-1-methyl-2-phenoxyethyl]-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1223274; BDBM50416701
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| Activity |
Ki = 63095.73 nM
|
[3] | |||
| Compound Name |
N-[(2R)-1-Phenylsulfanylpropan-2-yl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1223346; BDBM50416695
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| Activity |
Ki = 74131.02 nM
|
[3] | |||
| Compound Name |
N-[2-(7-Methoxy-1-naphthalenyl)ethyl]heptanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL288300; BDBM50037245; ZINC13650491; Heptanoic acid [2-(7-methoxy-naphthalen-1-yl)-ethyl]-amide
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| Activity |
IC50 = 100000 nM
|
[4] | |||
| Compound Name |
4-Naphthalen-1-ylpyrrolidin-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL343381; SCHEMBL11113219; BDBM50408647; AKOS015451754
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| Activity |
IC50 = 100000 nM
|
[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Chembl4285498
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Investigative | Compound Info | ||
| Synonyms |
BDBM50468601; 2-(beta-D-Glucopyranosyloxy)-5,5'-diallylbiphenyl-2'-ol
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| Activity |
EC50 = 396500 nM
|
[5] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The development of a charged melatonin receptor ligand. Bioorg Med Chem Lett. 1997 Sep 23;7(18):2409-14. | ||||
| REF 2 | Oxyprenylated Phenylpropanoids Bind to MT1 Melatonin Receptors and Inhibit Breast Cancer Cell Proliferation and Migration. J Nat Prod. 2017 Dec 22;80(12):3324-3329. | ||||
| REF 3 | Design, synthesis, and pharmacological effects of structurally simple ligands for MT(1) and MT(2) melatonin receptors. Bioorg Med Chem. 2010 Sep 1;18(17):6496-511. | ||||
| REF 4 | Pharmacophoric search and 3D-QSAR comparative molecular field analysis studies on agonists of melatonin sheep receptors. J Med Chem. 1998 Nov 5;41(23):4453-65. | ||||
| REF 5 | Synthesis and biological evaluation of magnolol derivatives as melatonergic receptor agonists with potential use in depression. Eur J Med Chem. 2018 Aug 5;156:381-393. | ||||
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