Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99616 | Target Info | |||
| Target Name | Trypanosoma Trypanothione reductase (Trypano TPR) | ||||
| Synonyms |
TRYR; TPR; Parasite-specific trypanothione reductase; N(1),N(8)-bis(glutathionyl)spermidine reductase
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| Target Type | Successful Target | ||||
| Gene Name | Trypano TPR | ||||
| Biochemical Class | Sulfur donor oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 12 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-Benzyl-6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836619; BDBM50354294
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| Activity |
IC50 = 50000 nM
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[1] | |||
| Compound Name |
3-(8-Bromo-6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836601; BDBM50354277
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| Activity |
IC50 = 53000 nM
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[1] | |||
| Compound Name |
Methyl (2,6-dimethyl-4-phenylquinazolin-3(4H)-yl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1727832; ChemDiv3_001322; MLS000693179; HMS1476M02; HMS2610A06; BDBM50354298; STK862284; AKOS000669398; AKOS021987589; MCULE-7817112397; IDI1_020288; NCGC00172778-01; SMR000284805; AB00097779-01; SR-01000414302; SR-01000414302-1; Z56817640; F0263-0009; methyl 2-(2,6-dimethyl-4-phenylquinazolin-3(4H)-yl)acetate; methyl 2-(2,6-dimethyl-4-phenyl-3,4-dihydroquinazolin-3-yl)acetate
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| Activity |
IC50 = 67000 nM
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[1] | |||
| Compound Name |
2-Chloro-10H-phenoxazine
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Investigative | Compound Info | ||
| Synonyms |
2-chlorophenoxazine; CHEMBL1801896; 10H-Phenoxazine, 2-chloro-; SCHEMBL6045366; CTK1F3752; DTXSID40442763; BDBM50142683
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| Activity |
IC50 = 69200 nM
|
[2] | |||
| Compound Name |
Methyl [6-bromo-2-(morpholin-4-ylmethyl)-4-phenylquinazolin-3(4H)-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1724038; CBMicro_033960; MLS000780453; HMS1615G01; HMS2802K19; BDBM50354305; STK862262; AKOS001058208; AKOS016879282; MCULE-4723898463; SMR000424685; BIM-0034197.P001; SR-01000506452; SR-01000506452-1
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| Activity |
IC50 = 89000 nM
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[1] | |||
| Compound Name |
Methyl 2-[6-bromo-2-(2-morpholin-4-ylethyl)-4-phenyl-4H-quinazolin-3-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836362; CBMicro_034275; SCHEMBL3763378; BDBM50354306; STK862263; AKOS000669178; AKOS016878835; CCG-105197; MCULE-4394634955; BIM-0034409.P001; AB00097843-01; SR-01000416577; SR-01000416577-1; methyl [6-bromo-2-(2-morpholin-4-ylethyl)-4-phenylquinazolin-3(4H)-yl]acetate; methyl {6-bromo-2-[2-(morpholin-4-yl)ethyl]-4-phenylquinazolin-3(4H)-yl}acetate
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| Activity |
IC50 = 93000 nM
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[1] | |||
| Compound Name |
N-Acetylphenoxazine
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Investigative | Compound Info | ||
| Synonyms |
10-acetylphenoxazine; 1-phenoxazin-10-ylethanone; UNII-VVA9DLS3TV; VVA9DLS3TV; HJ-PI01; CHEMBL2180182; N-Acetylphenoxazine; 1-(10H-Phenoxazin-10-yl)ethan-1-one; Phenoxazine, 10-acetyl-; 10-Acetylphenoxazine [MI]; 10H-Phenoxazine, 10-acetyl-; Ethanone, 1-(10H-phenoxazin-10-yl)-; 10-Acetyl-10H-phenoxazine; Oprea1_022230; SCHEMBL3451033; DTXSID10210951; ZINC400069; 1-(10H-phenoxazin-10-yl)ethanone; BDBM50399189; STK366652; AKOS005443445; MCULE-6822173151; ST50865161; Q27292034
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
Methyl [6-bromo-4-(2-chlorophenyl)-2-methylquinazolin-3(4H)-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836556; CBMicro_034220; BDBM50354301; STK862283; AKOS001015548; AKOS016878860; MCULE-8685403062; BIM-0034072.P001; SR-01000414303; SR-01000414303-1
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| Activity |
IC50 ~ 100000 nM
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[1] | |||
| Compound Name |
(6-Methyl-2,4-diphenyl-4H-quinazolin-3-yl)-acetic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836363; ChemDiv3_006237; HMS1490L11; BDBM50354307; STK862170; AKOS000678373; AKOS022008285; MCULE-8677202991; IDI1_024147; BRD-A01114894-001-01-2; Z57157230; F1551-0112; methyl (6-methyl-2,4-diphenylquinazolin-3(4H)-yl)acetate; methyl 2-(6-methyl-2,4-diphenylquinazolin-3(4H)-yl)acetate; methyl 2-(6-methyl-2,4-diphenyl-3,4-dihydroquinazolin-3-yl)acetate
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| Activity |
IC50 ~ 100000 nM
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[1] | |||
| Compound Name |
Methyl [6-methyl-4-phenyl-2-(3,4,5-trimethoxyphenyl)quinazolin-3(4H)-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836364; ChemDiv1_020198; HMS644G02; BDBM50354308; STK862285; AKOS000678013; AKOS021986866; MCULE-4530942582; ST50733078; SR-01000414300; SR-01000414300-1; Z57157263
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| Activity |
IC50 ~ 100000 nM
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[1] | |||
| Compound Name |
1-(3,4-Dichlorophenyl)-3-(4-ethylanilino)-1-propanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL231735; 1-(3,4-dichlorophenyl)-3-(4-ethylphenylamino)propan-1-one; 1-(3,4-Dichlorophenyl)-3-((4-ethylphenyl)amino)propan-1-one; 1-(3,4-dichlorophenyl)-3-[(4-ethylphenyl)amino]propan-1-one; CBMicro_008636; Oprea1_140332; ZINC354323; SMSF0009944; BDBM50201779; AKOS005108624; JS-2434; MCULE-8924956127; KS-0000273G; BIM-0008619.P001
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| Activity |
IC50 = 107000 nM
|
[3] | |||
| Compound Name |
1-(4-Chlorophenyl)-3-morpholin-4-ylpropan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL234180; CBMicro_015656; Oprea1_197021; Oprea1_867050; MLS000687486; SCHEMBL7255774; HMS2735B10; BDBM50201780; STK764809; ZINC19314003; AKOS000505036; MCULE-7567363973; SMR000283519; ST038052; EU-0006909; 1-(4-chlorophenyl)-3-morpholinopropan-1-one; AB00076864-01; 1-(4-chlorophenyl)-3-(morpholin-4-yl)propan-1-one
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| Activity |
IC50 = 148000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography. J Med Chem. 2011 Oct 13;54(19):6514-30. | ||||
| REF 2 | Inhibitory effect of phenothiazine- and phenoxazine-derived chloroacetamides on Leishmania major growth and Trypanosoma brucei trypanothione reductase. Eur J Med Chem. 2016 Jan 27;108:436-443. | ||||
| REF 3 | High-throughput screening affords novel and selective trypanothione reductase inhibitors with anti-trypanosomal activity. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1280-3. | ||||
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