Detailed information for compound 1152038

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.342 | Formula: C19H17F5N2O2
  • H donors: 1 H acceptors: 1 LogP: 2.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(F)c(F)c(c(c1F)F)F)NCC1OCCN(C1)Cc1ccccc1
  • InChi: 1S/C19H17F5N2O2/c20-14-13(15(21)17(23)18(24)16(14)22)19(27)25-8-12-10-26(6-7-28-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,25,27)
  • InChiKey: QCYHJCCYEWZVEV-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis geminin 0.0164 0.1188 0.1188
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0056 0.0115 0.0115
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.117 0.117
Loa Loa (eye worm) hypothetical protein 0.0162 0.117 0.117
Loa Loa (eye worm) aminopeptidase N 0.0056 0.0115 0.0115
Brugia malayi Peptidase family M1 containing protein 0.0056 0.0115 0.0265
Toxoplasma gondii hypothetical protein 0.0162 0.117 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0056 0.0115 0.0115
Brugia malayi jmjC domain containing protein 0.0092 0.0478 0.1095
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.117 0.2684
Mycobacterium ulcerans aminopeptidase N PepN 0.0056 0.0115 0.5
Schistosoma mansoni hypothetical protein 0.0162 0.117 0.117
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0345 0.2987 0.2987
Onchocerca volvulus 0.0056 0.0115 0.5
Brugia malayi hypothetical protein 0.0056 0.0115 0.0265
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1051 1 1
Schistosoma mansoni carbonic anhydrase 0.0162 0.117 0.117
Brugia malayi TATA binding protein associated factor 0.0056 0.0115 0.0265
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.117 0.2684
Loa Loa (eye worm) TATA binding protein associated factor 0.0056 0.0115 0.0115
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.117 0.117
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Onchocerca volvulus 0.0056 0.0115 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0056 0.0115 0.0115
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0056 0.0115 0.0115
Brugia malayi Peptidase family M1 containing protein 0.0056 0.0115 0.0265
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.117 0.117
Loa Loa (eye worm) hypothetical protein 0.0162 0.117 0.117
Schistosoma mansoni microtubule-associated protein tau 0.0667 0.6186 0.6186
Trypanosoma brucei carbonic anhydrase-like protein 0.0345 0.2987 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0139 0.0139
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0162 0.117 0.117
Echinococcus multilocularis carbonic anhydrase II 0.0345 0.2987 0.2987
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Echinococcus multilocularis aminopeptidase N 0.0056 0.0115 0.0115
Echinococcus granulosus carbonic anhydrase 0.0162 0.117 0.117
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Echinococcus multilocularis carbonic anhydrase 0.0162 0.117 0.117
Echinococcus granulosus carbonic anhydrase II 0.0345 0.2987 0.2987
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.117 0.2684
Echinococcus multilocularis carbonic anhydrase 0.0162 0.117 0.117
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0162 0.117 0.2684
Echinococcus granulosus microtubule associated protein 2 0.0667 0.6186 0.6186
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0345 0.2987 0.2987
Loa Loa (eye worm) hypothetical protein 0.0162 0.117 0.117
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0478 0.0478
Loa Loa (eye worm) hypothetical protein 0.0056 0.0115 0.0115
Entamoeba histolytica aminopeptidase, putative 0.0056 0.0115 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0056 0.0115 0.0115
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Brugia malayi hypothetical protein 0.0056 0.0115 0.0265
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0345 0.2987 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0345 0.2987 0.685
Plasmodium falciparum carbonic anhydrase 0.0162 0.117 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0115 0.0115
Schistosoma mansoni hypothetical protein 0.0164 0.1188 0.1188
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0345 0.2987 0.2987
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1051 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0056 0.0115 0.5
Schistosoma mansoni aminopeptidase A (M01 family) 0.0056 0.0115 0.0115
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0056 0.0115 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0162 0.117 0.2684
Leishmania major carbonic anhydrase-like protein 0.0345 0.2987 1
Echinococcus granulosus carbonic anhydrase 0.0162 0.117 0.117
Brugia malayi hypothetical protein 0.0483 0.436 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Echinococcus granulosus geminin 0.0164 0.1188 0.1188
Onchocerca volvulus 0.0056 0.0115 0.5
Echinococcus granulosus carbonic anhydrase 0.0162 0.117 0.117
Schistosoma mansoni hypothetical protein 0.0164 0.1188 0.1188
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0056 0.0115 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0056 0.0115 0.0115
Echinococcus multilocularis microtubule associated protein 2 0.0667 0.6186 0.6186
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0056 0.0115 0.5
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0289 0.0289
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0056 0.0115 0.0115
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1051 1 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0056 0.0115 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0345 0.2987 0.685
Loa Loa (eye worm) carbonic anhydrase 3 0.0345 0.2987 0.2987
Brugia malayi Peptidase family M1 containing protein 0.0056 0.0115 0.0265
Loa Loa (eye worm) hypothetical protein 0.0048 0.0041 0.0041
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0478 0.0478
Echinococcus multilocularis carbonic anhydrase 0.0162 0.117 0.117
Echinococcus granulosus aminopeptidase N 0.0056 0.0115 0.0115
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0056 0.0115 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0345 0.2987 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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