Detailed information for compound 1721851

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 256.381 | Formula: C15H28O3
  • H donors: 1 H acceptors: 2 LogP: 4.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)OCCCCCC1CCCCC1)O
  • InChi: 1S/C15H28O3/c1-2-14(16)15(17)18-12-8-4-7-11-13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3
  • InChiKey: HUCSYSYMDIRUJE-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi hypothetical protein 0.0279 0.1326 0.1302
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0138 0.0431 0.0405
Loa Loa (eye worm) hypothetical protein 0.0115 0.0288 0.0288
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Onchocerca volvulus 0.0279 0.1326 1
Onchocerca volvulus 0.0279 0.1326 1
Schistosoma mansoni acetylcholinesterase 0.0279 0.1326 0.1326
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Trypanosoma cruzi cardiolipin synthetase, putative 0.0136 0.0422 0.979
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0138 0.0431 1
Schistosoma mansoni gliotactin 0.0279 0.1326 0.1326
Echinococcus multilocularis neuroligin 0.0279 0.1326 0.1302
Loa Loa (eye worm) hypothetical protein 0.1653 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0027 0.0027
Brugia malayi Carboxylesterase family protein 0.0279 0.1326 0.1302
Echinococcus multilocularis phospholipase D 0.0345 0.174 0.1718
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1653 1 1
Echinococcus granulosus phospholipase D 0.0345 0.174 0.1718
Trypanosoma cruzi cardiolipin synthetase, putative 0.0136 0.0422 0.979
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0115 0.0288 0.0288
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0138 0.0431 1
Brugia malayi Phospholipase D. Active site motif family protein 0.0136 0.0422 0.0396
Brugia malayi Peptidase family M1 containing protein 0.0138 0.0431 0.0405
Brugia malayi Calcitonin receptor-like protein seb-1 0.0115 0.0288 0.0261
Trichomonas vaginalis spcc417.12 protein, putative 0.0279 0.1326 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0138 0.0431 0.0431
Entamoeba histolytica phospholipase D, putative 0.0391 0.2028 1
Echinococcus granulosus para nitrobenzyl esterase 0.0279 0.1326 0.1302
Onchocerca volvulus 0.0107 0.0237 0.1619
Toxoplasma gondii phospholipase D active site domain-containing protein 0.0136 0.0422 0.5
Brugia malayi Carboxylesterase family protein 0.0279 0.1326 0.1302
Mycobacterium ulcerans carboxylesterase, LipT 0.0279 0.1326 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0279 0.1326 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.0058 0.0031
Schistosoma mansoni neuroligin 3 (S09 family) 0.0279 0.1326 0.1326
Echinococcus granulosus BC026374 protein S09 family 0.0279 0.1326 0.1302
Loa Loa (eye worm) hypothetical protein 0.1653 1 1
Trypanosoma cruzi aminopeptidase, putative 0.0138 0.0431 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0279 0.1326 0.1302
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0194 0.0167
Echinococcus multilocularis acetylcholinesterase 0.1653 1 1
Schistosoma mansoni phospholipase D 0.0391 0.2028 0.2028
Mycobacterium tuberculosis Carboxylesterase LipT 0.0279 0.1326 0.5
Loa Loa (eye worm) hypothetical protein 0.0279 0.1326 0.1326
Loa Loa (eye worm) hypothetical protein 0.0254 0.1168 0.1168
Loa Loa (eye worm) carboxylesterase 0.1653 1 1
Loa Loa (eye worm) carboxylesterase 0.0279 0.1326 0.1326
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0107 0.0237 0.5204
Echinococcus granulosus aminopeptidase N 0.0107 0.0237 0.0211
Onchocerca volvulus 0.0279 0.1326 1
Echinococcus granulosus phospholipase D1 0.0391 0.2028 0.2006
Brugia malayi hypothetical protein 0.0107 0.0237 0.0211
Brugia malayi Peptidase family M1 containing protein 0.0107 0.0237 0.0211
Echinococcus multilocularis phospholipase D1 0.0391 0.2028 0.2006
Schistosoma mansoni hypothetical protein 0.0079 0.0058 0.0058
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0279 0.1326 0.1326
Loa Loa (eye worm) hypothetical protein 0.0279 0.1326 0.1326
Trypanosoma brucei cardiolipin synthetase, putative 0.0136 0.0422 0.9533
Entamoeba histolytica phospholipase D active site domain-containing protein 0.0328 0.1633 0.7528
Echinococcus granulosus acetylcholinesterase 0.1653 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0058 0.0058
Brugia malayi Carboxylesterase family protein 0.0279 0.1326 0.1302
Loa Loa (eye worm) hypothetical protein 0.0279 0.1326 0.1326
Brugia malayi Carboxylesterase family protein 0.0279 0.1326 0.1302
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Echinococcus multilocularis BC026374 protein (S09 family) 0.0279 0.1326 0.1302
Loa Loa (eye worm) hypothetical protein 0.0254 0.1168 0.1168
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0107 0.0237 0.0237
Loa Loa (eye worm) hypothetical protein 0.0279 0.1326 0.1326
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0279 0.1326 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0107 0.0237 0.5508
Echinococcus multilocularis para nitrobenzyl esterase 0.0279 0.1326 0.1302
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Loa Loa (eye worm) acetylcholinesterase 1 0.1653 1 1
Entamoeba histolytica phospholipase D, putative 0.0391 0.2028 1
Onchocerca volvulus 0.0279 0.1326 1
Echinococcus granulosus carboxylesterase 5A 0.1653 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0279 0.1326 0.1326
Loa Loa (eye worm) hypothetical protein 0.0328 0.1633 0.1633
Onchocerca volvulus 0.0279 0.1326 1
Echinococcus granulosus acetylcholinesterase 0.1653 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0279 0.1326 0.1326
Onchocerca volvulus 0.0107 0.0237 0.1619
Trypanosoma brucei cardiolipin synthetase 0.0136 0.0422 0.9533
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0279 0.1326 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0138 0.0431 1
Echinococcus granulosus neuroligin 0.0279 0.1326 0.1302
Loa Loa (eye worm) hypothetical protein 0.0279 0.1326 0.1326
Schistosoma mansoni BC026374 protein (S09 family) 0.0279 0.1326 0.1326
Loa Loa (eye worm) aminopeptidase N 0.0138 0.0431 0.0431
Echinococcus multilocularis aminopeptidase N 0.0107 0.0237 0.0211
Brugia malayi Phospholipase d protein 1 0.0391 0.2028 0.2006
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0138 0.0431 0.0405
Loa Loa (eye worm) hypothetical protein 0.0328 0.1633 0.1633
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0279 0.1326 0.1302
Brugia malayi Carboxylesterase family protein 0.1653 1 1
Loa Loa (eye worm) carboxylesterase 0.0279 0.1326 0.1326
Loa Loa (eye worm) phospholipase D 0.0074 0.0027 0.0027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0115 0.0288 0.0261
Loa Loa (eye worm) hypothetical protein 0.0279 0.1326 0.1326
Echinococcus multilocularis carboxylesterase 5A 0.1653 1 1
Loa Loa (eye worm) hypothetical protein 0.0279 0.1326 0.1326
Echinococcus multilocularis acetylcholinesterase 0.1653 1 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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