Detailed information for compound 715337

Basic information

Technical information
  • TDR Targets ID: 715337
  • Name: N-[[5-[2-[(3,4-dimethylphenyl)amino]-2-oxoeth yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl ]-2-methoxybenzamide
  • MW: 453.557 | Formula: C23H27N5O3S
  • H donors: 2 H acceptors: 4 LogP: 2.98 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)NCc1nnc(n1CC)SCC(=O)Nc1ccc(c(c1)C)C
  • InChi: 1S/C23H27N5O3S/c1-5-28-20(13-24-22(30)18-8-6-7-9-19(18)31-4)26-27-23(28)32-14-21(29)25-17-11-10-15(2)16(3)12-17/h6-12H,5,13-14H2,1-4H3,(H,24,30)(H,25,29)
  • InChiKey: DMEIPBKPEWWDIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[5-[2-[(3,4-dimethylphenyl)amino]-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide
  • N-[[5-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
  • N-[[5-[[2-[(3,4-dimethylphenyl)amino]-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide
  • STK232331

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0028 0.0031
Echinococcus multilocularis peregrin 0.0031 0.0093 0.0181
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0028 0.0039
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0037 0.0127 0.0158
Onchocerca volvulus Alhambra homolog 0.0029 0.0079 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0028 0.0031
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0054 0.0224 0.0467
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0037 0.0127 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0157 0.0313
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0125 0.0244
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0037 0.0127 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0077 0.0146
Schistosoma mansoni thyroid hormone receptor 0.002 0.0028 0.0061
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0037 0.0127 0.0276
Loa Loa (eye worm) hypothetical protein 0.0054 0.0224 0.0459
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0028 0.0031
Loa Loa (eye worm) hypothetical protein 0.0038 0.0132 0.0259
Echinococcus multilocularis dual specificity protein phosphatase 0.0815 0.4591 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0083 0.0182
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0083 0.0013
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0551 0.308 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0254 0.0533
Brugia malayi PHD-finger family protein 0.0029 0.0079 0.0113
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0028 0.0061
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0551 0.308 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0145 0.0294
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0041 0.009
Leishmania major oxidoreductase-like protein 0.0037 0.0127 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0028 0.0031
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0125 0.0252
Schistosoma mansoni hypothetical protein 0.0029 0.0079 0.0173
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0031
Leishmania major pteridine reductase 1 0.0037 0.0127 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0028 0.0039
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0028 0.0061
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0037 0.0127 1
Schistosoma mansoni hypothetical protein 0.0054 0.0224 0.0487
Echinococcus granulosus zinc finger protein 0.002 0.0024 0.0032
Brugia malayi Bromodomain containing protein 0.0031 0.0093 0.0143
Loa Loa (eye worm) hypothetical protein 0.0037 0.0127 0.0248
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0031
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0037 0.0127 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0028 0.0031
Brugia malayi PHD-finger family protein 0.0025 0.0055 0.006
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0037 0.0127 0.5
Echinococcus granulosus peregrin 0.0031 0.0093 0.0181
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0551 0.308 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0118 0.0236
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0037 0.0127 0.0158
Plasmodium vivax SET domain protein, putative 0.003 0.0083 0.0004
Schistosoma mansoni zinc finger protein 0.002 0.0024 0.0053
Brugia malayi Bromodomain containing protein 0.0075 0.0342 0.0688
Onchocerca volvulus 0.003 0.0083 0.0122
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0551 0.308 0.3024
Loa Loa (eye worm) apoptosis regulator protein 0.0054 0.0224 0.0459
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0041 0.0069
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0054 0.0224 0.0467
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0083 0.016
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0551 0.308 1
Echinococcus multilocularis zinc finger protein 0.002 0.0024 0.0032
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0125 0.0273
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0041 0.0069
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0028 0.0031
Trypanosoma brucei pteridine reductase 1 0.0037 0.0127 1
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0028 0.0039
Loa Loa (eye worm) hypothetical protein 0.0071 0.0317 0.0664
Schistosoma mansoni dihydropteridine reductase 0.0037 0.0127 0.0276
Brugia malayi Bromodomain containing protein 0.0038 0.0132 0.0228
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0028 0.0039
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0054 0.0224 0.0429
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0079 0.0151
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0028 0.0039
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0031
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0028 0.0061
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0031
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0079 0.0144
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0028 0.0039
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0551 0.308 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0031 0.0037
Plasmodium falciparum enoyl-acyl carrier reductase 0.0551 0.308 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.001 0.0022
Schistosoma mansoni bromodomain containing protein 0.0063 0.0275 0.0599
Trichomonas vaginalis hypothetical protein 0.0551 0.308 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0028 0.0039
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0028 0.0039
Loa Loa (eye worm) hypothetical protein 0.0041 0.0146 0.0289
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0037 0.0127 0.0158
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.1104 0.2383
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0114 0.0228
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0028 0.0039
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0028 0.0039
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0028 0.0061
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0083 0.0182
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0347 0.0756
Echinococcus granulosus FTZ F1 alpha 0.002 0.0028 0.0039
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0031
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0145 0.0294
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0031
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0551 0.308 1
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0679 0.3813 0.8302
Loa Loa (eye worm) hypothetical protein 0.0029 0.0079 0.0144
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0028 0.0039
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0028 0.0061
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0028 0.0039
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0028 0.0039
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0037 0.0127 0.0158
Schistosoma mansoni dual specificity protein phosphatase 0.0815 0.4591 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.001 0.0022
Brugia malayi Dual specificity phosphatase, catalytic domain containing protein 0.0815 0.4591 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0679 0.3813 0.8302
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0181 0.0373
Schistosoma mansoni hypothetical protein 0.0054 0.0224 0.0487
Brugia malayi jmjC domain containing protein 0.0095 0.0459 0.0945
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0118 0.0236
Onchocerca volvulus 0.0815 0.4591 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0125 0.0273
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0257 0.0532
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0028 0.0039
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0037 0.0127 0.0248
Onchocerca volvulus 0.0037 0.0127 0.0217
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0079 0.0151
Onchocerca volvulus 0.0037 0.0127 0.0217
Echinococcus granulosus dual specificity protein phosphatase 0.0815 0.4591 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0181 0.0373
Schistosoma mansoni hypothetical protein 0.0054 0.0224 0.0487
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0037 0.0127 1
Brugia malayi Pre-SET motif family protein 0.003 0.0083 0.0122
Loa Loa (eye worm) hypothetical protein 0.0047 0.0181 0.0366
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0037 0.0127 0.0048
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0254 0.0533
Schistosoma mansoni hypothetical protein 0.0021 0.0031 0.0067
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0028 0.0039
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0054 0.0224 0.0487
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0028 0.0061
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0079 0.0173
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0028 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0028 0.0031
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0028 0.0039
Trypanosoma brucei oxidoreductase-like protein 0.0037 0.0127 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0037 0.0127 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0037 0.0127 0.0248
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0037 0.0127 0.0255
Brugia malayi jmjC domain containing protein 0.0037 0.0125 0.0214
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0037 0.0127 0.0255
Schistosoma mansoni thyroid hormone receptor 0.002 0.0028 0.0061
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0028 0.0061
Schistosoma mansoni coup transcription factor 0.002 0.0028 0.0061
Loa Loa (eye worm) dual specificity phosphatase 0.0815 0.4591 1
Schistosoma mansoni nuclear hormone receptor 0.002 0.0028 0.0061
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0028 0.0061
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0459 0.0981
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0028 0.0031
Brugia malayi Pre-SET motif family protein 0.0208 0.1104 0.2359
Loa Loa (eye worm) hypothetical protein 0.005 0.0199 0.0404
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0127 0.0217
Schistosoma mansoni apoptosis regulator bax 0.0054 0.0224 0.0487
Giardia lamblia Dual specificity phosphatase, catalytic 0.0815 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0031
Loa Loa (eye worm) oxidoreductase 0.0037 0.0127 0.0248
Onchocerca volvulus 0.0236 0.1269 0.272
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0028 0.0039
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0181 0.0394
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0459 0.0981
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0037 0.0127 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0181 0.0394
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0127 0.0217

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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