Detailed information for compound 843929

Basic information

Technical information
  • TDR Targets ID: 843929
  • Name: 3-(4-ethylphenyl)-1-[(2-pyrrol-1-yl-4,5,6,7-t etrahydro-1-benzothiophen-3-yl)methyl]urea
  • MW: 379.518 | Formula: C22H25N3OS
  • H donors: 2 H acceptors: 1 LogP: 4.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NC(=O)NCc1c(sc2c1CCCC2)n1cccc1
  • InChi: 1S/C22H25N3OS/c1-2-16-9-11-17(12-10-16)24-22(26)23-15-19-18-7-3-4-8-20(18)27-21(19)25-13-5-6-14-25/h5-6,9-14H,2-4,7-8,15H2,1H3,(H2,23,24,26)
  • InChiKey: NKBCWNQEKADYNW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-ethylphenyl)-1-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea
  • 3-(4-ethylphenyl)-1-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]urea

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
Entamoeba histolytica heat shock protein 90, putative 0.0041 0.0598 0.0485
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0391 0.5696
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Giardia lamblia Grp94/Hsp90 0.0039 0.051 0.0123
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0039 0.051 0.5
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0039 0.051 0.817
Echinococcus granulosus heat shock protein 0.0041 0.0598 0.1106
Trichomonas vaginalis heat shock protein, putative 0.0039 0.051 0.8533
Trypanosoma brucei heat shock protein 90, putative 0.0041 0.0598 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0045 0.0723 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0035 0.0391 0.063
Brugia malayi Calcitonin receptor-like protein seb-1 0.0045 0.0723 1
Schistosoma mansoni hypothetical protein 0.0031 0.0232 0.0262
Brugia malayi Endoplasmin precursor 0.0041 0.0598 0.7924
Trypanosoma brucei heat shock protein, putative 0.0041 0.0598 1
Schistosoma mansoni hypothetical protein 0.0153 0.4449 1
Echinococcus multilocularis heat shock protein 90 0.0035 0.0391 0.063
Loa Loa (eye worm) hypothetical protein 0.0045 0.0723 1
Trypanosoma cruzi heat shock protein 85, putative 0.0041 0.0598 1
Trypanosoma brucei Heat shock protein 83, putative 0.0041 0.0598 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0041 0.0598 1
Toxoplasma gondii heat shock protein 90, putative 0.0041 0.0598 0.1074
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Trypanosoma cruzi heat shock protein 85, putative 0.0041 0.0598 1
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Plasmodium vivax heat shock protein 86, putative 0.0041 0.0598 0.1074
Trypanosoma cruzi heat shock protein 90, putative 0.0041 0.0598 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0045 0.0723 1
Schistosoma mansoni endoplasmin 0.0041 0.0598 0.1106
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Plasmodium falciparum heat shock protein 90 0.0041 0.0598 0.1305
Giardia lamblia DNA repair protein RAD52 0.0313 1 1
Trypanosoma brucei heat shock protein, putative 0.0041 0.0598 1
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Echinococcus granulosus heat shock protein 90 0.0035 0.0391 0.063
Trypanosoma brucei heat shock protein, putative 0.0041 0.0598 1
Toxoplasma gondii heat shock protein HSP90 0.0041 0.0598 0.1074
Trichomonas vaginalis heat shock protein, putative 0.0041 0.0598 1
Echinococcus granulosus endoplasmin 0.0039 0.051 0.0904
Schistosoma mansoni heat shock protein 0.0041 0.0598 0.1106
Trypanosoma brucei heat shock protein, putative 0.0041 0.0598 1
Schistosoma mansoni heat shock protein 0.0041 0.0598 0.1106
Trichomonas vaginalis heat shock protein, putative 0.0039 0.051 0.8533
Plasmodium falciparum endoplasmin, putative 0.003 0.0206 0.045
Trypanosoma brucei heat shock protein, putative 0.0041 0.0598 1
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Treponema pallidum heat shock protein 90 0.0039 0.051 0.5
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0089 0.2252 0.2159
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Echinococcus multilocularis heat shock protein 90 0.0041 0.0598 0.1106
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0391 0.655
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0027 0.0119 0.5
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Schistosoma mansoni endoplasmin 0.0041 0.0598 0.1106
Echinococcus multilocularis geminin 0.0153 0.4449 1
Echinococcus multilocularis heat shock protein 0.0041 0.0598 0.1106
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Trypanosoma cruzi heat shock protein 90, putative 0.0035 0.0391 0.5696
Echinococcus granulosus heat shock protein 90 0.0041 0.0598 0.1106
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0039 0.051 0.5
Toxoplasma gondii Hsp90 domain-containing protein 0.0157 0.458 1
Echinococcus granulosus geminin 0.0153 0.4449 1
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Trypanosoma brucei heat shock protein 90, putative 0.0041 0.0598 1
Plasmodium vivax heat shock protein, putative 0.0157 0.458 1
Echinococcus multilocularis endoplasmin 0.0039 0.051 0.0904
Entamoeba histolytica hypothetical protein 0.0089 0.2252 0.2159
Loa Loa (eye worm) endoplasmin 0.0041 0.0598 0.7924
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Trypanosoma brucei heat shock protein, putative 0.0041 0.0598 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0041 0.0598 0.0215
Trypanosoma brucei heat shock protein, putative 0.0041 0.0598 1
Schistosoma mansoni hypothetical protein 0.0153 0.4449 1
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Trichomonas vaginalis heat shock protein, putative 0.003 0.0206 0.345
Loa Loa (eye worm) hypothetical protein 0.0031 0.0232 0.1874
Trypanosoma brucei heat shock protein, putative 0.0041 0.0598 1
Trypanosoma cruzi heat shock protein 85, putative 0.0041 0.0598 1
Mycobacterium ulcerans heat shock protein 90 0.0039 0.051 0.5
Brugia malayi heat shock protein 90 0.0041 0.0598 0.7924
Brugia malayi latrophilin 2 splice variant baaae 0.0031 0.0232 0.1874
Entamoeba histolytica heat shock protein 90, putative 0.0041 0.0598 0.0485
Trichomonas vaginalis endoplasmin, putative 0.003 0.0206 0.345
Loa Loa (eye worm) heat shock protein 90 0.0041 0.0598 0.7924
Plasmodium vivax endoplasmin, putative 0.0041 0.0598 0.1074
Plasmodium falciparum heat shock protein 90, putative 0.0157 0.458 1
Leishmania major heat shock protein 83-1 0.0041 0.0598 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0039 0.051 0.5

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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