Detailed information for compound 710813

Basic information

Technical information
  • TDR Targets ID: 710813
  • Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-iodob enzamide
  • MW: 387.236 | Formula: C14H14INO2S
  • H donors: 1 H acceptors: 1 LogP: 3.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1ccc(cc1)C(=O)NCCSCc1ccco1
  • InChi: 1S/C14H14INO2S/c15-12-5-3-11(4-6-12)14(17)16-7-9-19-10-13-2-1-8-18-13/h1-6,8H,7,9-10H2,(H,16,17)
  • InChiKey: IFMNXISTIIFRDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2-furylmethylsulfanyl)ethyl]-4-iodo-benzamide
  • N-[2-(2-furylmethylthio)ethyl]-4-iodobenzamide
  • N-[2-(2-furylmethylthio)ethyl]-4-iodo-benzamide
  • N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-iodo-benzamide
  • ZINC03017876

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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0223 0.2516 0.6114
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Echinococcus multilocularis aldo keto reductase 0.0223 0.2516 0.2374
Echinococcus granulosus aldehyde reductase 0.0158 0.17 0.1829
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0064 0.0515 0.1251
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.1513 0.6012
Brugia malayi CHE-14 protein 0.0042 0.0236 0.0572
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Onchocerca volvulus 0.0223 0.2516 1
Echinococcus multilocularis aldo keto reductase 0.0223 0.2516 0.2374
Entamoeba histolytica alcohol dehydrogenase, putative 0.0064 0.0515 0.1509
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0064 0.0515 0.0397
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Trypanosoma cruzi aldo/keto reductase, putative 0.0223 0.2516 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3412 1
Trypanosoma brucei aldo/keto reductase, putative 0.0064 0.0515 0.1986
Schistosoma mansoni hypothetical protein 0.0052 0.0356 0.0205
Loa Loa (eye worm) hypothetical protein 0.0099 0.095 0.2308
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Entamoeba histolytica aldose reductase, putative 0.0223 0.2516 0.7374
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0064 0.0515 0.1986
Onchocerca volvulus 0.0223 0.2516 1
Echinococcus granulosus aldo keto reductase 0.0223 0.2516 0.2814
Trypanosoma brucei aldo-keto reductase, putative 0.0223 0.2516 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0236 0.0051
Schistosoma mansoni patched 1 0.0042 0.0236 0.006
Loa Loa (eye worm) hypothetical protein 0.0349 0.4114 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0223 0.2516 1
Trypanosoma brucei prostaglandin f synthase 0.0223 0.2516 1
Schistosoma mansoni hypothetical protein 0.0041 0.0216 0.0037
Brugia malayi GH02984p 0.0349 0.4114 1
Loa Loa (eye worm) oxidoreductase 0.0223 0.2516 0.6114
Onchocerca volvulus 0.0038 0.0186 0.0739
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Trichomonas vaginalis aldo/keto reductase, putative 0.0223 0.2516 0.7179
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0223 0.2516 0.6114
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Echinococcus multilocularis protein dispatched 1 0.0048 0.0311 0.0128
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3412 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0236 0.0572
Echinococcus multilocularis aldo keto reductase 0.0223 0.2516 0.2374
Toxoplasma gondii aldo-keto reductase 0.0064 0.0515 0.1986
Leishmania major hypothetical protein, conserved 0.0025 0.0019 0.0076
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Brugia malayi hypothetical protein 0.0025 0.0019 0.0046
Loa Loa (eye worm) hypothetical protein 0.0052 0.0356 0.0866
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3412 1
Onchocerca volvulus 0.0064 0.0515 0.2046
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0223 0.2516 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0064 0.0515 0.1986
Trypanosoma cruzi aldo-keto reductase 0.0223 0.2516 1
Echinococcus multilocularis aldehyde reductase 0.0158 0.17 0.1543
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3412 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.1513 0.6012
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0223 0.2516 0.7179
Echinococcus granulosus high affinity choline transporter 1 0.0349 0.4114 0.4745
Schistosoma mansoni potassium channel beta 0.0064 0.0515 0.0397
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0223 0.2516 0.7179
Schistosoma mansoni aldo-keto reductase 0.0223 0.2516 0.2814
Echinococcus granulosus voltage gated potassium channel subunit 0.0064 0.0515 0.0397
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0223 0.2516 0.6114
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Schistosoma mansoni aldo-keto reductase 0.0223 0.2516 0.2814
Schistosoma mansoni hypothetical protein 0.0041 0.0216 0.0037
Trichomonas vaginalis aldo-keto reductase, putative 0.0064 0.0515 0.0879
Echinococcus multilocularis high affinity choline transporter 1 0.0349 0.4114 0.4003
Echinococcus multilocularis aldo keto reductase 0.0223 0.2516 0.2374
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0046
Trichomonas vaginalis aldo-keto reductase, putative 0.0064 0.0515 0.0879
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Loa Loa (eye worm) oxidoreductase 0.0223 0.2516 0.6114
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.095 0.2783
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0064 0.0515 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.095 0.0778
Loa Loa (eye worm) hypothetical protein 0.0223 0.2516 0.6114
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Mycobacterium tuberculosis Conserved protein 0.0064 0.0515 0.2046
Loa Loa (eye worm) oxidoreductase 0.0223 0.2516 0.6114
Plasmodium falciparum aldehyde reductase, putative 0.0064 0.0515 1
Echinococcus multilocularis expressed conserved protein 0.0093 0.0874 0.0701
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.3412 1
Toxoplasma gondii aldose reductase, putative 0.0223 0.2516 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0223 0.2516 0.7179
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.095 0.2308
Schistosoma mansoni high-affinity choline transporter 0.0349 0.4114 0.4745
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Echinococcus granulosus aldo keto reductase 0.0223 0.2516 0.2814
Schistosoma mansoni hypothetical protein 0.0041 0.0216 0.0037
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0064 0.0515 0.1251
Leishmania major prostaglandin f synthase, putative 0.0223 0.2516 1
Mycobacterium ulcerans oxidoreductase 0.0223 0.2516 1
Onchocerca volvulus 0.0223 0.2516 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0236 0.0572
Echinococcus granulosus expressed conserved protein 0.0093 0.0874 0.0831
Onchocerca volvulus 0.0223 0.2516 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.0969 0.0946
Onchocerca volvulus 0.0223 0.2516 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0236 0.006
Entamoeba histolytica alcohol dehydrogenase, putative 0.0064 0.0515 0.1509
Leishmania major aldo-keto reductase-like protein 0.0223 0.2516 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0223 0.2516 0.6114
Brugia malayi Sodium:solute symporter family protein 0.0038 0.0186 0.0452
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3412 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3412 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.3412 0.5
Plasmodium vivax aldehyde reductase, putative 0.0064 0.0515 1
Schistosoma mansoni hypothetical protein 0.0041 0.0216 0.0037
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0223 0.2516 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0223 0.2516 0.7179
Echinococcus granulosus hypothetical protein 0.0223 0.2516 0.2814
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.095 0.0922
Echinococcus granulosus aldo keto reductase 0.0223 0.2516 0.2814
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0236 0.006
Loa Loa (eye worm) oxidoreductase 0.0223 0.2516 0.6114
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3412 1
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.1486 0.1571
Echinococcus multilocularis protein patched 0.0042 0.0236 0.0051
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Loa Loa (eye worm) hypothetical protein 0.0038 0.0186 0.0452
Entamoeba histolytica aldose reductase, putative 0.0223 0.2516 0.7374
Plasmodium falciparum aldo-keto reductase, putative 0.0064 0.0515 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0064 0.0515 0.0879
Mycobacterium leprae Conserved hypothetical protein 0.0158 0.17 0.6757
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0064 0.0515 0.0879
Entamoeba histolytica aldose reductase, putative 0.0223 0.2516 0.7374
Echinococcus granulosus microtubule associated protein 2 0.0693 0.8465 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0223 0.2516 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.1513 0.6012
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Schistosoma mansoni microtubule-associated protein tau 0.0693 0.8465 1
Mycobacterium ulcerans hypothetical protein 0.0064 0.0515 0.2046
Trichomonas vaginalis aldo-keto reductase, putative 0.0223 0.2516 0.7179
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Brugia malayi NADH-dependent xylose reductase 0.0064 0.0515 0.1251
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0515 0.0879
Echinococcus multilocularis microtubule associated protein 2 0.0693 0.8465 0.8436
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0223 0.2516 0.2814
Echinococcus multilocularis voltage gated potassium channel subunit 0.0064 0.0515 0.0335
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.1486 0.1325
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3412 1
Mycobacterium leprae Possible oxidoreductase 0.0064 0.0515 0.2046
Loa Loa (eye worm) oxidoreductase 0.0223 0.2516 0.6114
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0064 0.0515 0.2046
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0064 0.0515 0.1986
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0038 0.0186 0.0668
Onchocerca volvulus 0.0223 0.2516 1
Schistosoma mansoni pol-related 0.0223 0.2516 0.2814
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0223 0.2516 0.2374
Trichomonas vaginalis aldo/keto reductase, putative 0.0223 0.2516 0.7179
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.3412 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.3412 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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