Detailed information for compound 876324

Basic information

Technical information
  • TDR Targets ID: 876324
  • Name: ethyl 3-[(3-cyanophenyl)sulfonyl-(phenylmethy l)amino]propanoate
  • MW: 372.438 | Formula: C19H20N2O4S
  • H donors: 0 H acceptors: 4 LogP: 2.47 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CCN(S(=O)(=O)c1cccc(c1)C#N)Cc1ccccc1
  • InChi: 1S/C19H20N2O4S/c1-2-25-19(22)11-12-21(15-16-7-4-3-5-8-16)26(23,24)18-10-6-9-17(13-18)14-20/h3-10,13H,2,11-12,15H2,1H3
  • InChiKey: XLJSFMILPXLPAM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(3-cyanophenyl)sulfonyl-(phenylmethyl)amino]propanoic acid ethyl ester
  • 3-[benzyl-(3-cyanophenyl)sulfonyl-amino]propionic acid ethyl ester

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
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0053 0.0005
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.1033 0.2459
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.005 0.0385 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0377 0.42 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0103 0.0054
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0176 0.0211
Brugia malayi hypothetical protein 0.0026 0.0108 0.0258
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.1561 0.1529
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0103 0.0088
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0053 0.0005
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0053 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0362 0.0522
Entamoeba histolytica hypothetical protein 0.0114 0.1128 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0578 0.0881
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0362 0.0522
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.005 0.0385 0.0339
Echinococcus multilocularis isocitrate dehydrogenase 0.005 0.0385 0.0339
Brugia malayi hypothetical protein 0.0114 0.1128 0.2686
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0053 0.0005
Loa Loa (eye worm) hypothetical protein 0.0052 0.0407 0.086
Loa Loa (eye worm) transcription factor SMAD2 0.0377 0.42 1
Brugia malayi steroid hormone receptor 0.0021 0.0053 0.0126
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0114 0.1128 0.1091
Echinococcus multilocularis geminin 0.0535 0.6044 0.6065
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.005 0.0385 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0362 0.0522
Loa Loa (eye worm) hypothetical protein 0.0131 0.1333 0.3093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0053 0.0008
Entamoeba histolytica hypothetical protein 0.0114 0.1128 1
Brugia malayi MH2 domain containing protein 0.0026 0.0103 0.0244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0176 0.0211
Brugia malayi isocitrate dehydrogenase 0.005 0.0385 0.0916
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0053 0.0005
Brugia malayi TAR-binding protein 0.0066 0.0578 0.1375
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0578 0.0881
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0053 0.0126
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0103 0.0088
Brugia malayi Isocitrate dehydrogenase 0.005 0.0385 0.0916
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0362 0.0316
Brugia malayi Smad1 0.0026 0.0103 0.0244
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0103 0.0127
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0385 0.0339
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0362 0.0753
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0053 0.0008
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0053 0.0003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0176 0.0211
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0053 0.0126
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0362 0.0316
Loa Loa (eye worm) RNA binding protein 0.0066 0.0578 0.1272
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.0385 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0053 0.0005
Schistosoma mansoni hypothetical protein 0.0044 0.0312 0.0437
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0053 0.0126
Echinococcus granulosus potassium voltage gated channel protein 0.026 0.2834 0.4646
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0362 0.0863
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0008
Loa Loa (eye worm) Smad1 0.0026 0.0103 0.0127
Loa Loa (eye worm) hypothetical protein 0.0105 0.1033 0.2369
Loa Loa (eye worm) hypothetical protein 0.0055 0.0449 0.0963
Schistosoma mansoni Smad4 0.0026 0.0103 0.0088
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0053 0.0005
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0008
Schistosoma mansoni smad1 5 8 and 0.0026 0.0103 0.0088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0385 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0385 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0053 0.0126
Echinococcus granulosus potassium voltage gated channel subfamily A 0.026 0.2834 0.4646
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0021 0.005 0.0118
Trichomonas vaginalis set domain proteins, putative 0.0253 0.2762 1
Schistosoma mansoni hypothetical protein 0.0535 0.6044 1
Echinococcus granulosus tar DNA binding protein 0.0066 0.0578 0.0881
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0385 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.1033 0.0995
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0008
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0103 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0053 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0053 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0578 0.0881
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0873 1 1
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0021 0.005 0.0118
Echinococcus granulosus X box binding protein 1 0.0308 0.3402 0.5592
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0053 0.0005
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0103 0.0127
Schistosoma mansoni smad1 5 8 and 0.0026 0.0103 0.0088
Onchocerca volvulus 0.0253 0.2762 1
Plasmodium vivax SET domain protein, putative 0.0032 0.0176 0.2446
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.005 0.0385 0.0559
Schistosoma mansoni patched 1 0.0045 0.0331 0.0469
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0053 0.0005
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0393 0.0935
Brugia malayi MH2 domain containing protein 0.0377 0.42 1
Entamoeba histolytica hypothetical protein 0.0114 0.1128 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0578 0.0881
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0407 0.086
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0053 0.0126
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.2695 0.2677
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.2695 0.4413
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0053 0.0003
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0008
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.1052 0.1672
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0216 0.0513
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0053 0.0008
Echinococcus granulosus Smad4 0.0026 0.0103 0.0088
Echinococcus granulosus expressed conserved protein 0.0099 0.0958 0.1516
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0008
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0053 0.0005
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0053 0.0126
Schistosoma mansoni hypothetical protein 0.0044 0.0312 0.0437
Schistosoma mansoni smad1 5 8 and 0.0026 0.0103 0.0088
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0331 0.0677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0053 0.0008
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0578 0.1272
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0578 0.1375
Onchocerca volvulus 0.0051 0.0393 0.1255
Echinococcus multilocularis smad 0.0026 0.0103 0.0054
Brugia malayi MH1 domain containing protein 0.0026 0.0103 0.0244
Schistosoma mansoni smad 0.0026 0.0103 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0362 0.0522
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0053 0.0003
Brugia malayi hypothetical protein 0.0248 0.2695 0.6416
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0053 0.0126
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0008
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0407 0.0968
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0385 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1333 0.3093
Brugia malayi ecdysteroid receptor 0.0021 0.0053 0.0126
Schistosoma mansoni hypothetical protein 0.0044 0.0312 0.0437
Brugia malayi MH1 domain containing protein 0.0026 0.0103 0.0244
Schistosoma mansoni hypothetical protein 0.0044 0.0312 0.0437
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0331 0.0284
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.1033 0.164
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0053 0.0005
Loa Loa (eye worm) hypothetical protein 0.0035 0.0216 0.04
Brugia malayi MH2 domain containing protein 0.0026 0.0103 0.0244
Schistosoma mansoni voltage-gated potassium channel 0.026 0.2834 0.4646
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0114 0.1128 0.1799
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0053 0.0005
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0176 0.2446
Mycobacterium ulcerans proteasome PrcA 0.0873 1 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0216 0.0277
Schistosoma mansoni coup transcription factor 0.0021 0.0053 0.0005
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.026 0.2834 0.6748
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0176 0.0211
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.0677
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0053 0.0003
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.1561 0.2521
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0162 0.0188
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0053 0.0126
Schistosoma mansoni hypothetical protein 0.0114 0.1128 0.1799
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0053 0.0008
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0053 0.0126
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0362 0.0522
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0331 0.0469
Trypanosoma brucei isocitrate dehydrogenase, putative 0.005 0.0385 1
Brugia malayi hypothetical protein 0.0131 0.1333 0.3175
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0053 0.0126
Loa Loa (eye worm) hypothetical protein 0.0026 0.0108 0.0141
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0053 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0053 0.0008
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0331 0.0469
Brugia malayi nuclear receptor NHR-88 0.0021 0.0053 0.0126
Schistosoma mansoni hypothetical protein 0.0051 0.0393 0.0572
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0053 0.0005
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.2403 0.567
Echinococcus multilocularis X box binding protein 1 0.0308 0.3402 0.3392
Loa Loa (eye worm) hypothetical protein 0.0248 0.2695 0.6373
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0053 0.0003
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0248 0.2702 0.2684
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0053 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0053 0.0126
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.005 0.0385 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0393 0.0572
Echinococcus granulosus geminin 0.0535 0.6044 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0053 0.0005
Echinococcus multilocularis Smad4 0.0026 0.0103 0.0054
Echinococcus multilocularis expressed conserved protein 0.0099 0.0958 0.0919
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0053 0.0126
Brugia malayi RNA binding protein 0.0066 0.0578 0.1375
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0053 0.0005
Echinococcus granulosus smad 0.0026 0.0103 0.0088
Schistosoma mansoni voltage-gated potassium channel 0.026 0.2834 0.4646
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0008
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0053 0.0003
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0053 0.0005
Echinococcus multilocularis potassium voltage gated channel protein 0.026 0.2834 0.2818
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0053 0.0003
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0053 0.0003
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0053 0.0008
Schistosoma mansoni transcription factor LCR-F1 0.0114 0.1128 0.1799
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0053 0.0003
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0053 0.0005
Echinococcus multilocularis protein dispatched 1 0.0052 0.0405 0.036
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0053 0.0126
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0407 0.0968
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0868 0.9933 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0176 0.0128
Brugia malayi nuclear hormone receptor 0.0021 0.0053 0.0126
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.0385 1
Echinococcus multilocularis protein patched 0.0045 0.0331 0.0284
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0578 0.0534
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0385 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0053 0.0126
Schistosoma mansoni hypothetical protein 0.0535 0.6044 1
Loa Loa (eye worm) hypothetical protein 0.026 0.2834 0.671
Onchocerca volvulus Huntingtin homolog 0.0131 0.1333 0.4727
Schistosoma mansoni hypothetical protein 0.0308 0.3402 0.5592
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0053 0.0005
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0053 0.0005
Onchocerca volvulus Huntingtin homolog 0.0131 0.1333 0.4727
Entamoeba histolytica hypothetical protein 0.0114 0.1128 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0176 0.0211
Brugia malayi CHE-14 protein 0.0045 0.0331 0.0787
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0053 0.0008
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0008
Brugia malayi Pre-SET motif family protein 0.0223 0.2403 0.5721
Loa Loa (eye worm) hypothetical protein 0.0032 0.0176 0.0304
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0103 0.0054
Brugia malayi Pre-SET motif family protein 0.0032 0.0176 0.0419
Onchocerca volvulus 0.0032 0.0176 0.0454
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0176 0.0128
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0578 0.1272
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.005 0.0385 0.0559
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0578 0.0881
Loa Loa (eye worm) isocitrate dehydrogenase 0.005 0.0385 0.0808

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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