Detailed information for compound 1747488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.535 | Formula: C23H35N2O4+
  • H donors: 0 H acceptors: 2 LogP: 4.85 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=C(OC)C(=O)C(=C(C1=O)C)CCCCCCCCCCn1cc[n+](c1)C
  • InChi: 1S/C23H35N2O4/c1-18-19(21(27)23(29-4)22(28-3)20(18)26)13-11-9-7-5-6-8-10-12-14-25-16-15-24(2)17-25/h15-17H,5-14H2,1-4H3/q+1
  • InChiKey: QVJKWGFHHMWFMN-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
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis histone deacetylase 6 0.0126 0.0234 0.0385
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus granulosus alpha tubulin 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Giardia lamblia Alpha-tubulin 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin alpha chain 0.0171 0.1438 0.4682
Echinococcus granulosus tubulin beta 4A class IVa 0.0226 0.2927 1
Brugia malayi Tubulin alpha-2 chain 0.0171 0.1438 0.1328
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus granulosus histone deacetylase 7 0.0126 0.0234 0.0385
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Plasmodium falciparum alpha tubulin 2 0.0171 0.1438 0.4682
Leishmania major histone deacetylase, putative 0.0126 0.0234 0.0385
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Echinococcus granulosus tubulin alpha 3 chain 0.0171 0.1438 0.4682
Echinococcus multilocularis peroxisome assembly protein 26 0.0171 0.1438 0.4682
Giardia lamblia Alpha-tubulin 0.0171 0.1438 0.4682
Brugia malayi Tubulin alpha chain 0.0171 0.1438 0.1328
Loa Loa (eye worm) histone deacetylase 0.0126 0.0234 0.0234
Trichomonas vaginalis tubulin epsilon chain, putative 0.0171 0.1438 0.4912
Echinococcus multilocularis histone deacetylase 6 0.0126 0.0234 0.0385
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Plasmodium vivax histone deacetylase 2, putative 0.0126 0.0234 0.0385
Echinococcus multilocularis beta tubulin 0.0226 0.2927 1
Plasmodium vivax tubulin beta chain, putative 0.0226 0.2927 1
Echinococcus multilocularis hypothetical protein 0.0171 0.1438 0.4682
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Schistosoma mansoni tubulin subunit alpha 0.0171 0.1438 0.4682
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Toxoplasma gondii alpha tubulin TUBA1 0.0171 0.1438 0.4682
Echinococcus granulosus beta tubulin 0.0226 0.2927 1
Toxoplasma gondii beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin beta chain, putative 0.0226 0.2927 1
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Loa Loa (eye worm) alpha-tubulin 0.0171 0.1438 0.1438
Leishmania major beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0226 0.2927 1
Loa Loa (eye worm) tubulin alpha chain 0.0171 0.1438 0.1438
Echinococcus multilocularis Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Loa Loa (eye worm) tubulin alpha chain 0.0171 0.1438 0.1438
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus granulosus beta tubulin 0.0226 0.2927 1
Brugia malayi Histone deacetylase family protein 0.0126 0.0234 0.0109
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Trypanosoma brucei beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin, putative 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Trypanosoma cruzi beta tubulin, putative 0.0226 0.2927 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Entamoeba histolytica tubulin alpha chain, putative 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin subunit TubB 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin epsilon chain, putative 0.0226 0.2927 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0171 0.1438 0.4682
Leishmania major beta tubulin 0.0226 0.2927 1
Brugia malayi tubulin alpha-2 chain 0.0171 0.1438 0.1328
Trypanosoma brucei beta tubulin 0.0226 0.2927 1
Schistosoma mansoni alpha tubulin 0.0171 0.1438 0.4682
Giardia lamblia Beta tubulin 0.0226 0.2927 1
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Echinococcus multilocularis histone deacetylase 6 0.0126 0.0234 0.0385
Loa Loa (eye worm) alpha-tubulin 0.0171 0.1438 0.1438
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Loa Loa (eye worm) tubulin beta-1 chain 0.0226 0.2927 0.2927
Echinococcus granulosus histone deacetylase 6 0.0126 0.0234 0.0385
Loa Loa (eye worm) BEN-1 protein 0.0226 0.2927 0.2927
Plasmodium vivax histone deacetylase, putative 0.0126 0.0234 0.0385
Echinococcus multilocularis Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Schistosoma mansoni tubulin subunit alpha 0.0171 0.1438 0.4682
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Plasmodium vivax tubulin alpha chain, putative 0.0171 0.1438 0.4682
Echinococcus granulosus histone deacetylase 6 0.0126 0.0234 0.0385
Schistosoma mansoni alpha tubulin 0.0171 0.1438 0.4682
Leishmania major beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0171 0.1438 0.4912
Plasmodium falciparum histone deacetylase, putative 0.0126 0.0234 0.0385
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0226 0.2927 1
Loa Loa (eye worm) BEN-1 protein 0.0226 0.2927 0.2927
Trypanosoma brucei beta tubulin 0.0226 0.2927 1
Brugia malayi Tubulin beta-1 chain 0.0226 0.2927 0.2836
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Trypanosoma cruzi alpha tubulin, putative 0.0171 0.1438 0.4682
Toxoplasma gondii alpha-tubulin I, putative 0.0171 0.1438 0.4682
Loa Loa (eye worm) STAT protein 0.0487 1 1
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin alpha 1C chain 0.0171 0.1438 0.4682
Plasmodium falciparum histone deacetylase 2 0.0126 0.0234 0.0385
Leishmania major beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Trypanosoma brucei alpha tubulin 0.0171 0.1438 0.4682
Brugia malayi tubulin alpha chain - mouse 0.0171 0.1438 0.1328
Brugia malayi beta-tubulin, identical 0.0226 0.2927 0.2836
Trichomonas vaginalis tubulin alpha chain, putative 0.0122 0.0126 0.0432
Echinococcus multilocularis tubulin alpha chain 0.0171 0.1438 0.4682
Brugia malayi alpha-tubulin 0.0171 0.1438 0.1328
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Trypanosoma brucei histone deacetylase, putative 0.0126 0.0234 0.0385
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha 3 chain 0.0171 0.1438 0.4682
Trypanosoma brucei alpha tubulin 0.0171 0.1438 0.4682
Leishmania major beta tubulin 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Trypanosoma brucei beta tubulin 0.0226 0.2927 1
Trypanosoma brucei alpha tubulin 0.0171 0.1438 0.4682
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0122 0.0126 0.0432
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Trypanosoma brucei histone deacetylase 4 0.0126 0.0234 0.0385
Trichomonas vaginalis tubulin epsilon chain, putative 0.0171 0.1438 0.4912
Brugia malayi Histone deacetylase family protein 0.0126 0.0234 0.0109
Echinococcus granulosus tubulin subunit beta 0.0226 0.2927 1
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Toxoplasma gondii histone deacetylase HDAC1 0.0126 0.0234 0.0385
Echinococcus multilocularis tubulin alpha chain 0.0171 0.1438 0.4682
Trypanosoma brucei histone deacetylase 3 0.0126 0.0234 0.0385
Giardia lamblia Beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0226 0.2927 1
Loa Loa (eye worm) histone deacetylase 7A 0.0126 0.0234 0.0234
Plasmodium falciparum tubulin beta chain 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha 1C chain 0.0171 0.1438 0.4682
Loa Loa (eye worm) hypothetical protein 0.0126 0.0234 0.0234
Toxoplasma gondii beta-1 tubulin, putative 0.0226 0.2927 1
Trypanosoma brucei alpha tubulin 0.0171 0.1438 0.4682
Leishmania major histone deacetylase, putative 0.0126 0.0234 0.0385
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0171 0.1438 0.1438
Echinococcus multilocularis Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Schistosoma mansoni histone deacetylase 4 5 0.0126 0.0234 0.0385
Echinococcus granulosus histone deacetylase 6 0.0126 0.0234 0.0385
Schistosoma mansoni histone deacetylase hda2 0.0126 0.0234 0.0385
Schistosoma mansoni histone deacetylase 4 5 0.0126 0.0234 0.0385
Loa Loa (eye worm) beta-tubulin 0.0226 0.2927 0.2927
Trypanosoma cruzi histone deacetylase, putative 0.0126 0.0234 0.0385
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Entamoeba histolytica tubulin family protein 0.0226 0.2927 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Brugia malayi Tubulin alpha-2 chain 0.0171 0.1438 0.1328
Plasmodium falciparum alpha tubulin 1 0.0171 0.1438 0.4682
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin alpha chain 0.0171 0.1438 0.4682
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus granulosus peroxisome assembly protein 26 0.0171 0.1438 0.4682
Loa Loa (eye worm) tubulin beta chain 0.0226 0.2927 0.2927
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Plasmodium vivax tubulin alpha chain, putative 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha 1C chain 0.0171 0.1438 0.4682
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0226 0.2927 0.2927
Echinococcus multilocularis tubulin beta 1 chain 0.0226 0.2927 1
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Echinococcus granulosus tubulin beta 1 chain 0.0226 0.2927 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.0234 0.0234
Schistosoma mansoni alpha tubulin 0.0171 0.1438 0.4682
Echinococcus granulosus histone deacetylase 0.0126 0.0234 0.0385
Trypanosoma cruzi histone deacetylase, putative 0.0126 0.0234 0.0385
Echinococcus multilocularis histone deacetylase 0.0126 0.0234 0.0385
Echinococcus multilocularis tubulin alpha 3 chain 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Loa Loa (eye worm) hypothetical protein 0.0171 0.1438 0.1438
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Loa Loa (eye worm) tubulin gamma chain 0.0122 0.0126 0.0126
Entamoeba histolytica tubulin alpha-1 chain 0.0171 0.1438 0.4682
Leishmania major beta tubulin 0.0226 0.2927 1
Toxoplasma gondii beta-tubulin, putative 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis tubulin subunit beta 0.0226 0.2927 1
Echinococcus granulosus tubulin subunit TubB 0.0171 0.1438 0.4682
Trypanosoma cruzi histone deacetylase, putative 0.0126 0.0234 0.0385
Trichomonas vaginalis tubulin gamma chain, putative 0.0122 0.0126 0.0432
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis tubulin alpha chain 0.0171 0.1438 0.4682
Echinococcus multilocularis histone deacetylase 7 0.0126 0.0234 0.0385
Loa Loa (eye worm) tubulin beta-2A chain 0.0226 0.2927 0.2927
Entamoeba histolytica tubulin family protein 0.0226 0.2927 1
Schistosoma mansoni tubulin subunit alpha 0.0171 0.1438 0.4682
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Giardia lamblia Beta tubulin 0.0226 0.2927 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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