Detailed information for compound 707593

Basic information

Technical information
  • TDR Targets ID: 707593
  • Name: 1-(3-iodo-4-methoxyphenyl)sulfonyl-4-(phenylm ethyl)piperidine
  • MW: 471.352 | Formula: C19H22INO3S
  • H donors: 0 H acceptors: 2 LogP: 4.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1I)S(=O)(=O)N1CCC(CC1)Cc1ccccc1
  • InChi: 1S/C19H22INO3S/c1-24-19-8-7-17(14-18(19)20)25(22,23)21-11-9-16(10-12-21)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3
  • InChiKey: GORYMUIFPIJMFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-iodo-4-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperidine
  • 4-(benzyl)-1-(3-iodo-4-methoxy-phenyl)sulfonyl-piperidine

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
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.1045 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3851 0.3851
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.9694 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.6469 0.667
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3851 0.3843
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1045 1
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.2021 1
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0012 0.0012
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3851 0.3843
Echinococcus granulosus tar DNA binding protein 0.0062 0.3851 0.3965
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3851 0.3851
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.1045 0.4539
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3851 0.3851
Brugia malayi hypothetical protein 0.0016 0.0347 0.0336
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.2021 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.1045 0.4539
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.6469 0.6465
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1045 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0012
Loa Loa (eye worm) RNA binding protein 0.0062 0.3851 0.3851
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.2289 1
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0012 0.0012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.6469 0.6469
Leishmania major hypothetical protein, conserved 0.0025 0.1045 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3851 0.3851
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.6469 0.6465
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.6469 0.6465
Loa Loa (eye worm) acetyltransferase 0.0141 1 1
Brugia malayi TAR-binding protein 0.0062 0.3851 0.3843
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 1 1
Brugia malayi RNA binding protein 0.0062 0.3851 0.3843
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.2289 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.1045 0.1045
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.2021 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.2289 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.6469 0.6469
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1045 0.5144
Brugia malayi hypothetical protein 0.0025 0.1045 0.1035
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.2289 0.2352
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.6469 0.6469
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.6469 0.667
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.2289 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3851 0.3851
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3851 0.3851
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3851 0.3851
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.2289 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1045 0.5144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.6469 0.6469
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 1 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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