Detailed information for compound 1719283

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 222.28 | Formula: C13H18O3
  • H donors: 2 H acceptors: 2 LogP: 2.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H](c1cc(O)c(cc1O)C)CC[C@@H]1CO1
  • InChi: 1S/C13H18O3/c1-8(3-4-10-7-16-10)11-6-12(14)9(2)5-13(11)15/h5-6,8,10,14-15H,3-4,7H2,1-2H3/t8-,10+/m0/s1
  • InChiKey: FULYBNTZVJWXBZ-WCBMZHEXSA-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
Loa Loa (eye worm) hypothetical protein 0.0275 0.1575 0.1575
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0044 0.0136 0.0136
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0275 0.1575 0.5
Loa Loa (eye worm) carboxylesterase 0.0275 0.1575 0.1575
Loa Loa (eye worm) hypothetical protein 0.0275 0.1575 0.1575
Echinococcus multilocularis carboxylesterase 5A 0.1629 1 1
Echinococcus multilocularis neuroligin 0.0275 0.1575 0.1524
Loa Loa (eye worm) hypothetical protein 0.1629 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0275 0.1575 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0044 0.0136 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0275 0.1575 0.1524
Mycobacterium tuberculosis Carboxylesterase LipT 0.0275 0.1575 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0044 0.0136 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0275 0.1575 0.1512
Echinococcus multilocularis aminopeptidase N 0.0034 0.0075 0.0014
Echinococcus granulosus neuroligin 0.0275 0.1575 0.1512
Loa Loa (eye worm) carboxylesterase 0.1629 1 1
Echinococcus multilocularis acetylcholinesterase 0.1629 1 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0044 0.0136 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.1575 0.1575
Onchocerca volvulus 0.0275 0.1575 1
Onchocerca volvulus 0.0275 0.1575 1
Brugia malayi Carboxylesterase family protein 0.0275 0.1575 0.1512
Onchocerca volvulus 0.0275 0.1575 1
Echinococcus granulosus carboxylesterase 5A 0.1629 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1629 1 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0044 0.0136 0.0075
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0044 0.0136 0.0075
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0044 0.0136 0.0075
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0044 0.0136 0.0061
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0044 0.0136 0.0075
Schistosoma mansoni gliotactin 0.0275 0.1575 0.1575
Echinococcus multilocularis BC026374 protein (S09 family) 0.0275 0.1575 0.1524
Mycobacterium ulcerans carboxylesterase, LipT 0.0275 0.1575 1
Brugia malayi hypothetical protein 0.0275 0.1575 0.1512
Echinococcus multilocularis acetylcholinesterase 0.1629 1 1
Onchocerca volvulus 0.0275 0.1575 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1629 1 1
Loa Loa (eye worm) carboxylesterase 0.0275 0.1575 0.1575
Schistosoma mansoni acetylcholinesterase 0.0275 0.1575 0.1575
Brugia malayi Carboxylesterase family protein 0.0275 0.1575 0.1512
Loa Loa (eye worm) hypothetical protein 0.0275 0.1575 0.1575
Loa Loa (eye worm) aminopeptidase N 0.0044 0.0136 0.0136
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0275 0.1575 0.1575
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0044 0.0136 0.0075
Loa Loa (eye worm) hypothetical protein 0.0275 0.1575 0.1575
Loa Loa (eye worm) hypothetical protein 0.0275 0.1575 0.1575
Echinococcus granulosus acetylcholinesterase 0.1629 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0034 0.0075 0.0075
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0044 0.0136 0.0061
Entamoeba histolytica aminopeptidase, putative 0.0044 0.0136 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0275 0.1575 0.1524
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0044 0.0136 0.0061
Brugia malayi Carboxylesterase family protein 0.0275 0.1575 0.1512
Trypanosoma cruzi Aminopeptidase M1, putative 0.0034 0.0075 0.5508
Brugia malayi Carboxylesterase family protein 0.0275 0.1575 0.1512
Brugia malayi Peptidase family M1 containing protein 0.0044 0.0136 0.0061
Echinococcus granulosus para nitrobenzyl esterase 0.0275 0.1575 0.1512
Loa Loa (eye worm) hypothetical protein 0.1629 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0275 0.1575 0.1575
Brugia malayi Carboxylesterase family protein 0.1629 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0275 0.1575 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0275 0.1575 0.1575
Echinococcus granulosus BC026374 protein S09 family 0.0275 0.1575 0.1512
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0044 0.0136 0.0075
Schistosoma mansoni BC026374 protein (S09 family) 0.0275 0.1575 0.1575
Onchocerca volvulus 0.0275 0.1575 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0044 0.0136 1
Echinococcus granulosus acetylcholinesterase 0.1629 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0275 0.1575 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0275 0.1575 0.1575
Loa Loa (eye worm) hypothetical protein 0.0275 0.1575 0.1575
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0044 0.0136 0.0061

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 6.73 % Antiproliferative activity against human Jurkat cells assessed as 3rd generation cell population at 10 uM after 24 hrs using CFSE staining by flow cytometry relative to control ChEMBL. 23063518

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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