Detailed information for compound 625104

Basic information

Technical information
  • TDR Targets ID: 625104
  • Name: 2-[[2-(phenoxy)acetyl]amino]-N-[[4-(trifluoro methyl)phenyl]methylideneamino]acetamide
  • MW: 379.333 | Formula: C18H16F3N3O3
  • H donors: 2 H acceptors: 2 LogP: 3.1 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N/N=C/c1ccc(cc1)C(F)(F)F)CNC(=O)COc1ccccc1
  • InChi: 1S/C18H16F3N3O3/c19-18(20,21)14-8-6-13(7-9-14)10-23-24-16(25)11-22-17(26)12-27-15-4-2-1-3-5-15/h1-10H,11-12H2,(H,22,26)(H,24,25)/b23-10+
  • InChiKey: DQXZGLRLZHXWHQ-AUEPDCJTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-(phenoxy)acetyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyleneamino]acetamide
  • 2-[[1-oxo-2-(phenoxy)ethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyleneamino]acetamide
  • 2-[[2-(phenoxy)acetyl]amino]-N-[[4-(trifluoromethyl)benzylidene]amino]acetamide
  • 2-[2-(phenoxy)ethanoylamino]-N-[[4-(trifluoromethyl)phenyl]methylideneamino]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
Mycobacterium ulcerans hypothetical protein 0.0025 0.0534 0.5
Toxoplasma gondii melibiase subfamily protein 0.0105 0.4007 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1481 0.3553
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0105 0.4007 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0772 0.1746
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0772 0.1746
Trypanosoma brucei hypothetical protein, conserved 0.0218 0.8924 0.5
Brugia malayi intermediate filament protein 0.0028 0.0644 0.0646
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.0534 0.5
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0025 0.0534 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0772 0.1746
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.4007 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1481 0.3553
Onchocerca volvulus 0.0031 0.0772 0.0137
Leishmania major hypothetical protein, conserved 0.0218 0.8924 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0644 0.0739
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.2486 0.6119
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.4007 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.4007 1
Echinococcus multilocularis musashi 0.0028 0.0644 0.1561
Brugia malayi Pre-SET motif family protein 0.0031 0.0772 0.0795
Brugia malayi Melibiase family protein 0.007 0.2486 0.2781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1481 0.1616
Mycobacterium tuberculosis Conserved protein 0.0025 0.0534 0.5
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.007 0.2486 0.2063
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1481 0.1698
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0025 0.0534 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0772 0.1883
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0644 0.0739
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0025
Echinococcus granulosus citrate lyase subunit beta protein 0.0025 0.0534 0.1284
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0105 0.4007 1
Schistosoma mansoni lamin 0.0028 0.0644 0.1418
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0772 0.1746
Echinococcus multilocularis citrate lyase subunit beta protein 0.0025 0.0534 0.1284
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1481 0.366
Echinococcus granulosus lamin 0.0028 0.0644 0.1561
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.8718 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0772 0.1883
Trichomonas vaginalis set domain proteins, putative 0.0242 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0622 0.0713
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.2486 0.6119
Trypanosoma cruzi hypothetical protein, conserved 0.0218 0.8924 1
Echinococcus multilocularis lamin dm0 0.0028 0.0644 0.1561
Brugia malayi Pre-SET motif family protein 0.0213 0.8718 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0644 0.0739
Loa Loa (eye worm) hypothetical protein 0.0031 0.0772 0.0886
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0105 0.4007 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1481 0.3553
Echinococcus granulosus intermediate filament protein 0.0028 0.0644 0.1561
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0644 0.0646
Plasmodium vivax SET domain protein, putative 0.0031 0.0772 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0724 0.176
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1481 0.366
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1481 0.366
Trypanosoma cruzi hypothetical protein, conserved 0.0218 0.8924 1
Loa Loa (eye worm) hypothetical protein 0.007 0.2486 0.2852
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0086 0.0098
Echinococcus multilocularis lamin 0.0028 0.0644 0.1561
Schistosoma mansoni lamin 0.0028 0.0644 0.1418
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.4007 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.0534 0.5
Echinococcus granulosus lamin dm0 0.0028 0.0644 0.1561
Mycobacterium ulcerans hypothetical protein 0.0025 0.0534 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0772 0.1746
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0772 0.1883
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1481 0.366
Schistosoma mansoni intermediate filament proteins 0.0028 0.0644 0.1418

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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