Detailed information for compound 679423

Basic information

Technical information
  • TDR Targets ID: 679423
  • Name: N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2-met hoxy-4-methylsulfanylbenzamide
  • MW: 410.461 | Formula: C22H19FN2O3S
  • H donors: 2 H acceptors: 2 LogP: 4.73 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(c(c1)OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(cc1)F
  • InChi: 1S/C22H19FN2O3S/c1-28-20-13-16(29-2)11-12-18(20)22(27)25-19-6-4-3-5-17(19)21(26)24-15-9-7-14(23)8-10-15/h3-13H,1-2H3,(H,24,26)(H,25,27)
  • InChiKey: YXKYYDULMVMBHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2-methoxy-4-methylsulfanyl-benzamide
  • N-[2-[[(4-fluorophenyl)amino]-oxomethyl]phenyl]-2-methoxy-4-(methylthio)benzamide
  • N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2-methoxy-4-(methylthio)benzamide
  • ZINC01108298
  • ST5427531

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
Leishmania major protein kinase, putative 0.0032 0 0.5
Brugia malayi bZIP transcription factor family protein 0.0426 0.4766 1
Echinococcus granulosus geminin 0.0537 0.6099 1
Schistosoma mansoni jun-related protein 0.0346 0.3802 0.5988
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0032 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0032 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0174 0.172 0.3719
Brugia malayi hypothetical protein 0.0408 0.4542 0.9491
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0032 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0032 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0032 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0032 0 0.5
Loa Loa (eye worm) hypoxia-induced factor 1 0.0376 0.4161 0.8997
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0032 0 0.5
Mycobacterium ulcerans putative regulatory protein 0.009 0.0705 0.5
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0032 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0032 0 0.5
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0311 0.338 0.7308
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0372 0.0803
Schistosoma mansoni aryl hydrocarbon receptor 0.0122 0.1086 0.1248
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0174 0.172 0.5
Loa Loa (eye worm) hypothetical protein 0.0311 0.338 0.7308
Schistosoma mansoni hypothetical protein 0.0537 0.6099 1
Onchocerca volvulus 0.0335 0.366 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0426 0.4766 0.7814
Trichomonas vaginalis conserved hypothetical protein 0.0032 0 0.5
Brugia malayi hypothetical protein 0.0335 0.366 0.7485
Brugia malayi NNMT/PNMT/TEMT family protein 0.0311 0.338 0.6846
Loa Loa (eye worm) hypothetical protein 0.0311 0.338 0.7308
Echinococcus multilocularis geminin 0.0537 0.6099 0.6099
Brugia malayi bHLH-PAS transcription factor 0.009 0.0705 0.0758
Echinococcus granulosus jun protein 0.0426 0.4766 0.7814
Echinococcus multilocularis transfer RNA-Lys 0.009 0.0705 0.0705
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0032 0 0.5
Leishmania major protein kinase, putative 0.0032 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0408 0.4542 0.9822
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0174 0.172 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0372 0.0609
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0426 0.4766 0.4766
Echinococcus granulosus single minded 2 0.009 0.0705 0.1156
Brugia malayi PAS domain containing protein 0.0122 0.1086 0.1626
Loa Loa (eye worm) hypothetical protein 0.0414 0.4625 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0 0.5
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0032 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0032 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0032 0 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.0372 0.0609
Mycobacterium leprae Possible regulatory protein 0.0032 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0372 0.0372
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0032 0 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0372 0.0372
Trichomonas vaginalis conserved hypothetical protein 0.0032 0 0.5
Onchocerca volvulus 0.009 0.0705 0.1925
Echinococcus multilocularis jun protein 0.0426 0.4766 0.4766
Schistosoma mansoni single-minded 0.0122 0.1086 0.1248
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0032 0 0.5
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0032 0 0.5
Schistosoma mansoni hypothetical protein 0.0346 0.3802 0.5988
Brugia malayi hypoxia-induced factor 1 0.0376 0.4161 0.8623
Schistosoma mansoni hypothetical protein 0.0537 0.6099 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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