Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84486 | Target Info | |||
| Target Name | Oxytocin receptor (OTR) | ||||
| Synonyms |
OT-R
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| Target Type | Successful Target | ||||
| Gene Name | OXTR | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 12 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
CID 44247566
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1223262; SCHEMBL4307007; BDBM50416620
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| Activity |
IC50 ~ 50118.72 nM
|
[1] | |||
| Compound Name |
CID 44467347
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1223261; SCHEMBL4309808; BDBM50416619
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| Activity |
IC50 ~ 50118.72 nM
|
[1] | |||
| Compound Name |
N-Cyclopentyl-4-methoxy-N-[[2-[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1643591; BDBM50417695
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| Activity |
Ki = 50118.72 nM
|
[2] | |||
| Compound Name |
[Gly(But)3, Gly(But)7]OT
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL415417; BDBM50205998
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| Activity |
IC50 = 51700 nM
|
[3] | |||
| Compound Name |
Vasopressin antagonist 1867
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1684573; N-isopropyl-2-(2-(3-methoxyphenyl)-4-oxo-6-(3-(piperidin-1-yl)propoxy)quinazolin-3(4H)-yl)acetamide; Compound 12i; SCHEMBL3114804; BDBM50338810; ZINC38228094; 2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(4S,7R,10S,13R,16R,19S)-16-(2-Amino-2-oxoethyl)-13-(3-amino-3-oxopropyl)-19-((R)-1-((R)-2-(2-aminoacetamido)-4-methylpentanoyl)pyrrolidine-2-carboxamido)-10-sec-butyl-7-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1630534; BDBM50332729
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
Cyclo(CYIQNCPLG)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1630532; BDBM50332727
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| Activity |
EC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Cyclo(CYIQNCPLGAGAGAG
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1630533; BDBM50332728
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
2-(2-(3-Chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)propoxy)quinazolin-3(4H)-yl)-N-isopropylacetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1684574; SCHEMBL3116140; BDBM50338811; 2-(3-Chlorophenyl)-N-(1-methylethyl)-4-oxo-6-[3-(1-piperidinyl)propoxy]-3(4H)-quinazolineacetamide; 2-[2-(3-Chlorophenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)-4H-quinazolin-3-yl]-N-isopropylacetamide; 2-[2-(3-chlorophenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
N-(Cyclopropylmethyl)-2-[6-(3-morpholin-4-ylpropoxy)-4-oxo-2-phenylquinazolin-3-yl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1223814; BDBM50325847; N-(cyclopropylmethyl)-2-(6-(3-morpholinopropoxy)-4-oxo-2-phenylquinazolin-3(4H)-yl)acetamide
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(2R)-1-[(4S,7R,10R,13R,16R,19S)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2R)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1R)-1-[(2-amino-2-oxoethyl)amino]-3-methylbutyl]pyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1630535; BDBM50332730
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| Activity |
EC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Lanthionine Oxytocin
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2369424; 2-[[(2S)-2-[[(2S)-1-[(3R,6S,9S,12S,15S,18R)-18-amino-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carbonyl]pyrrolidine-2-carbonyl]amino]
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| Activity |
EC50 ~ 100000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Pyrrolo[1,2-a]pyrazine and pyrazolo[1,5-a]pyrazine: novel, potent, and selective series of Vasopressin 1b receptor antagonists. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5044-9. | ||||
| REF 2 | The characterization of a novel V1b antagonist lead series. Bioorg Med Chem Lett. 2011 Jan 1;21(1):92-6. | ||||
| REF 3 | Synthesis and biological activity of oxytocin analogues containing conformationally-restricted residues in position 7. Eur J Med Chem. 2007 Jun;42(6):799-806. | ||||
| REF 4 | Synthesis and SAR studies of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V1b receptor antagonists. Bioorg Med Chem Lett. 2011 Mar 15;21(6):1871-5. | ||||
| REF 5 | Modulating oxytocin activity and plasma stability by disulfide bond engineering. J Med Chem. 2010 Dec 23;53(24):8585-96. | ||||
| REF 6 | Identification and optimization of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V3 (V1b) receptor antagonists. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5394-7. | ||||
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