Detailed information for compound 663875

Basic information

Technical information
  • TDR Targets ID: 663875
  • Name: ethyl 4-[[1-(2,5-dichlorophenyl)sulfonylpiper idine-4-carbonyl]amino]benzoate
  • MW: 485.381 | Formula: C21H22Cl2N2O5S
  • H donors: 1 H acceptors: 4 LogP: 3.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
  • InChi: 1S/C21H22Cl2N2O5S/c1-2-30-21(27)15-3-6-17(7-4-15)24-20(26)14-9-11-25(12-10-14)31(28,29)19-13-16(22)5-8-18(19)23/h3-8,13-14H,2,9-12H2,1H3,(H,24,26)
  • InChiKey: WJCFCZRFYDQPHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[[1-(2,5-dichlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester
  • 4-[[1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid ethyl ester
  • ethyl 4-[[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate
  • ZINC00661427
  • ST052929
  • AH-487/41489296

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) hypothetical protein 0.0128 0.1632 0.8873
Echinococcus granulosus biogenic amine 5HT receptor 0.0128 0.1632 0.1632
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0299 0.1623
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.019 0.2548 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0308 0.5
Brugia malayi hypothetical protein 0.0027 0.0148 0.0805
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0359 0.088
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0148 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0489 0.0489
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1839 0.1839
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.019 0.2548 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0299 0.0299
Plasmodium falciparum enoyl-acyl carrier reductase 0.019 0.2548 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0359 0.088
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0359 0.088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0489 0.0489
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0556 0.3022
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.019 0.2548 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0359 0.0359
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.019 0.2548 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0694 1 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.019 0.2548 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0128 0.1632 0.1632
Trichomonas vaginalis hypothetical protein 0.019 0.2548 1
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1839 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0556 0.3022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0489 0.0489
Echinococcus multilocularis serotonin receptor 0.0128 0.1632 0.1632
Loa Loa (eye worm) hypothetical protein 0.0038 0.0299 0.1623
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.019 0.2548 0.5
Echinococcus multilocularis serotonin receptor 0.0128 0.1632 0.1632
Leishmania major hypothetical protein, conserved 0.0027 0.0148 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0489 0.0489
Loa Loa (eye worm) hypothetical protein 0.0027 0.0148 0.0805
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0489 0.2658
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0489 0.2658
Schistosoma mansoni microtubule-associated protein tau 0.0694 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.178 0.178
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0148 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0556 0.3022
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0489 0.0489
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0489 0.0489
Loa Loa (eye worm) acetyltransferase 0.0142 0.1839 1
Brugia malayi hypothetical protein 0.0018 0.0004 0.0024
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0308 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1839 0.1839
Loa Loa (eye worm) hypothetical protein 0.0055 0.0556 0.3022
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0489 0.0489
Loa Loa (eye worm) hypothetical protein 0.0128 0.1632 0.8873
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0148 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0308 0.0666
Plasmodium vivax enoyl-acyl carrier protein reductase 0.019 0.2548 1

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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