Detailed information for compound 682394

Basic information

Technical information
  • TDR Targets ID: 682394
  • Name: N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl] sulfonylphenyl]-2-methoxyacetamide
  • MW: 428.505 | Formula: C21H24N4O4S
  • H donors: 2 H acceptors: 4 LogP: 1.79 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2c([nH]1)cccc2
  • InChi: 1S/C21H24N4O4S/c1-29-14-20(26)22-16-6-8-17(9-7-16)30(27,28)25-12-10-15(11-13-25)21-23-18-4-2-3-5-19(18)24-21/h2-9,15H,10-14H2,1H3,(H,22,26)(H,23,24)
  • InChiKey: UJCBCJKHLLRPCM-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[4-[[4-(1H-benzimidazol-2-yl)-1-piperidyl]sulfonyl]phenyl]-2-methoxy-acetamide
  • N-[4-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]phenyl]-2-methoxyacetamide
  • N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methoxy-ethanamide

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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2647 0.5266
Onchocerca volvulus 0.0048 0.1346 0.5
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0653 1
Entamoeba histolytica hypothetical protein 0.0106 0.3116 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0653 1
Entamoeba histolytica hypothetical protein 0.0106 0.3116 1
Brugia malayi MH2 domain containing protein 0.0008 0.0111 0.016
Brugia malayi hypothetical protein 0.0106 0.3116 0.4487
Schistosoma mansoni smad1 5 8 and 0.0008 0.0111 0.0177
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0111 0.016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2647 0.263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2647 0.5266
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0653 0.094
Schistosoma mansoni hypothetical protein 0.0168 0.5005 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2647 0.263
Brugia malayi MH1 domain containing protein 0.0008 0.0111 0.016
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.2647 0.3811
Brugia malayi XPG I-region family protein 0.0005 0.0023 0.0033
Echinococcus granulosus smad 0.0008 0.0111 0.0088
Brugia malayi follicle stimulating hormone receptor 0.0231 0.6945 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1346 0.1939
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0111 0.0177
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.6945 1
Echinococcus multilocularis tumor protein p63 0.0331 1 1
Echinococcus multilocularis geminin 0.0168 0.5005 0.4994
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2647 0.263
Plasmodium falciparum flap endonuclease 1 0.0026 0.0653 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0653 1
Echinococcus granulosus Smad4 0.0008 0.0111 0.0088
Schistosoma mansoni Smad4 0.0008 0.0111 0.0177
Brugia malayi Flap endonuclease-1 0.0026 0.0653 0.094
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0653 1
Schistosoma mansoni hypothetical protein 0.0106 0.3116 0.6208
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.3511 0.5056
Schistosoma mansoni smad 0.0008 0.0111 0.0177
Echinococcus multilocularis smad 0.0008 0.0111 0.0088
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0111 0.0088
Brugia malayi Smad1 0.0008 0.0111 0.016
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.2647 0.3811
Schistosoma mansoni transcription factor LCR-F1 0.0106 0.3116 0.6208
Loa Loa (eye worm) Smad1 0.0008 0.0111 0.016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2647 0.5266
Schistosoma mansoni hypothetical protein 0.0168 0.5005 1
Brugia malayi MH2 domain containing protein 0.0008 0.0111 0.016
Echinococcus granulosus flap endonuclease 1 0.0026 0.0653 0.0631
Entamoeba histolytica hypothetical protein 0.0106 0.3116 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.1346 0.2656
Schistosoma mansoni smad1 5 8 and 0.0008 0.0111 0.0177
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0653 1
Echinococcus multilocularis Smad4 0.0008 0.0111 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2647 0.263
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0653 1
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0653 0.0631
Brugia malayi MH2 domain containing protein 0.0119 0.3511 0.5056
Echinococcus granulosus geminin 0.0168 0.5005 0.4994
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0106 0.3116 0.31
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0111 0.0088
Entamoeba histolytica hypothetical protein 0.0106 0.3116 1
Schistosoma mansoni flap endonuclease-1 0.0023 0.0577 0.1112
Loa Loa (eye worm) hypothetical protein 0.0005 0.0023 0.0033
Loa Loa (eye worm) XPG I-region family protein 0.0005 0.0023 0.0033
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0111 0.0088
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.3511 0.5056
Schistosoma mansoni smad1 5 8 and 0.0008 0.0111 0.0177
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0111 0.0088
Brugia malayi MH1 domain containing protein 0.0008 0.0111 0.016
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0111 0.016
Loa Loa (eye worm) hypothetical protein 0.0005 0.0023 0.0033
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0106 0.3116 0.31
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0653 1
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0653 0.2036

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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