Detailed information for compound 1560822

Basic information

Technical information
  • TDR Targets ID: 1560822
  • Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]-methy lsulfonylamino]-N-(3-methoxypropyl)acetamide
  • MW: 402.817 | Formula: C14H18ClF3N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.14 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)CN(S(=O)(=O)C)c1cc(ccc1Cl)C(F)(F)F
  • InChi: 1S/C14H18ClF3N2O4S/c1-24-7-3-6-19-13(21)9-20(25(2,22)23)12-8-10(14(16,17)18)4-5-11(12)15/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,21)
  • InChiKey: AZQCGXDFGOPUKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-chloro-5-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(3-methoxypropyl)acetamide
  • 2-[[2-chloro-5-(trifluoromethyl)phenyl]-mesyl-amino]-N-(3-methoxypropyl)acetamide
  • 2-[[2-chloro-5-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(3-methoxypropyl)ethanamide
  • STK055737
  • ZINC02988227
  • N~2~-[2-chloro-5-(trifluoromethyl)phenyl]-N~1~-(3-methoxypropyl)-N~2~-(methylsulfonyl)glycinamide
  • SMR000298759
  • MLS000690037

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
Mycobacterium ulcerans B12-dependent methionine synthase 0.0034 0.0404 0.5
Toxoplasma gondii homocysteine s-methyltransferase domain-containing protein 0.0034 0.0404 0.5
Loa Loa (eye worm) hypothetical protein 0.008 0.1613 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0 0.5
Leishmania major homocysteine S-methyltransferase, putative 0.0034 0.0404 0.5
Brugia malayi probable homocysteine S-methyltransferase 0.0034 0.0404 0.2504
Mycobacterium leprae Probable 5-methyltetrahydrofolate--homocystein methyltransferase MetH (Methionine synthase, vitamin-B12 dependent isozyme) (MS) 0.0034 0.0404 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0404 0.099
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0088 0.1808 0.4432
Trichomonas vaginalis conserved hypothetical protein 0.0019 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0019 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0019 0 0.5
Trypanosoma cruzi homocysteine S-methyltransferase, putative 0.0034 0.0404 0.5
Schistosoma mansoni hypothetical protein 0.0093 0.1966 0.4818
Plasmodium falciparum homocysteine S-methyltransferase, putative 0.0034 0.0404 0.5
Echinococcus granulosus voltage dependent calcium channel subunit 0.0181 0.4275 0.4275
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0181 0.4275 0.4275
Leishmania major methionine synthase, putative 0.0034 0.0404 0.5
Echinococcus granulosus expressed protein 0.037 0.9258 0.9258
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0174 0.408 1
Onchocerca volvulus 0.0034 0.0404 0.5
Brugia malayi Cache domain containing protein 0.008 0.1613 1
Entamoeba histolytica hypothetical protein 0.0019 0 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0398 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0 0.5
Trypanosoma cruzi cytidine triphosphate synthase, putative 0.0034 0.0404 0.5
Echinococcus multilocularis expressed protein 0.037 0.9258 0.9258
Trichomonas vaginalis conserved hypothetical protein 0.0019 0 0.5
Trypanosoma brucei unspecified product 0.0034 0.0404 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0404 0.2504
Plasmodium vivax homocysteine S-methyltransferase, putative 0.0034 0.0404 0.5
Schistosoma mansoni serine-rich repeat protein 0.0093 0.1966 0.4818
Trypanosoma brucei homocysteine S-methyltransferase, putative 0.0034 0.0404 0.5
Entamoeba histolytica hypothetical protein 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0019 0 0.5
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0 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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