Detailed information for compound 1569544

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.514 | Formula: C23H34O3
  • H donors: 0 H acceptors: 1 LogP: 5.92 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(C(C=CCC(=O)OCCCc1ccccc1)C)C1CCCCC1
  • InChi: 1S/C23H34O3/c1-19(23(25-2)21-15-7-4-8-16-21)11-9-17-22(24)26-18-10-14-20-12-5-3-6-13-20/h3,5-6,9,11-13,19,21,23H,4,7-8,10,14-18H2,1-2H3
  • InChiKey: WFDPQRQYLWKFNQ-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
Schistosoma mansoni tubulin subunit beta 0.0158 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0069 0.3392 0.3392
Trichomonas vaginalis tubulin beta chain, putative 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Trypanosoma cruzi alpha tubulin, putative 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0158 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0158 1 1
Entamoeba histolytica tubulin family protein 0.0158 1 1
Schistosoma mansoni tubulin subunit alpha 0.0158 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0158 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0158 1 1
Plasmodium falciparum tubulin beta chain 0.0158 1 1
Schistosoma mansoni tubulin subunit alpha 0.0158 1 1
Trypanosoma brucei alpha tubulin 0.0158 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Trypanosoma brucei beta tubulin 0.0158 1 1
Echinococcus multilocularis beta tubulin 0.0158 1 1
Brugia malayi beta-tubulin, identical 0.0158 1 1
Giardia lamblia Beta tubulin 0.0158 1 1
Schistosoma mansoni tubulin subunit beta 0.0158 1 1
Trypanosoma brucei alpha tubulin, putative 0.0089 0.493 0.493
Leishmania major beta tubulin 0.0158 1 1
Brugia malayi Tubulin beta chain 0.0089 0.493 0.493
Loa Loa (eye worm) hypothetical protein 0.0158 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0158 1 1
Trypanosoma brucei alpha tubulin 0.0158 1 1
Echinococcus granulosus tubulin delta chain 0.0069 0.3392 0.3392
Trichomonas vaginalis tubulin epsilon chain, putative 0.0069 0.3392 0.3392
Schistosoma mansoni tubulin subunit beta 0.0158 1 1
Echinococcus granulosus tubulin alpha chain 0.0158 1 1
Schistosoma mansoni tubulin subunit alpha 0.0069 0.3392 0.3392
Toxoplasma gondii beta tubulin 0.0158 1 1
Brugia malayi tubulin alpha chain - mouse 0.0158 1 1
Giardia lamblia Gamma tubulin 0.0158 1 1
Giardia lamblia Alpha-tubulin 0.0158 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.493 0.493
Entamoeba histolytica tubulin alpha chain, putative 0.0158 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0158 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0158 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0158 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0158 1 1
Leishmania major alpha tubulin 0.0158 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0158 1 1
Leishmania major alpha tubulin 0.0158 1 1
Leishmania major delta tubulin, putative 0.0069 0.3392 0.3392
Trichomonas vaginalis tubulin beta chain, putative 0.0158 1 1
Echinococcus granulosus tubulin beta 1 chain 0.0158 1 1
Echinococcus granulosus tubulin alpha chain 0.0158 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0158 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0158 1 1
Loa Loa (eye worm) alpha-tubulin 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Brugia malayi Tubulin alpha-2 chain 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Echinococcus multilocularis tubulin subunit beta 0.0158 1 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0158 1 1
Giardia lamblia Beta tubulin 0.0158 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0158 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0158 1 1
Trypanosoma brucei epsilon tubulin 0.0158 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0158 1 1
Leishmania major alpha tubulin 0.0158 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0089 0.493 0.493
Trichomonas vaginalis tubulin gamma chain, putative 0.0158 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0158 1 1
Trypanosoma brucei beta tubulin 0.0158 1 1
Echinococcus granulosus tubulin alpha chain 0.0158 1 1
Echinococcus multilocularis tubulin alpha 0.0158 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.3392 0.3392
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0158 1 1
Giardia lamblia Epsilon tubulin 0.0069 0.3392 0.3392
Trichomonas vaginalis tubulin, putative 0.0158 1 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0069 0.3392 1
Brugia malayi Cell division protein ftsZ 0.0069 0.3392 0.3392
Toxoplasma gondii alpha tubulin TUBA1 0.0158 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0158 1 1
Schistosoma mansoni tubulin subunit gamma 0.0158 1 1
Brugia malayi Tubulin alpha chain 0.0069 0.3392 0.3392
Schistosoma mansoni tubulin subunit beta 0.0069 0.3392 0.3392
Schistosoma mansoni tubulin subunit beta 0.0158 1 1
Echinococcus granulosus tubulin alpha chain 0.0158 1 1
Trypanosoma cruzi tubulin gamma chain 0.0158 1 1
Leishmania major alpha tubulin 0.0158 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0158 1 1
Brugia malayi Tubulin alpha chain 0.0158 1 1
Schistosoma mansoni tubulin subunit beta 0.0158 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0158 1 1
Echinococcus multilocularis hypothetical protein 0.0158 1 1
Leishmania major alpha tubulin 0.0158 1 1
Brugia malayi Tubulin beta-1 chain 0.0158 1 1
Echinococcus granulosus tubulin gamma 1 chain 0.0158 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0158 1 1
Echinococcus granulosus tubulin alpha 0.0158 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0158 1 1
Trypanosoma brucei zeta tubulin 0.0069 0.3392 0.3392
Trypanosoma brucei alpha tubulin 0.0158 1 1
Toxoplasma gondii beta-tubulin, putative 0.0158 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0158 1 1
Echinococcus multilocularis tubulin delta chain 0.0069 0.3392 0.3392
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0158 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0089 0.493 0.493
Echinococcus multilocularis Tubulin beta 2C chain 0.0158 1 1
Giardia lamblia Delta tubulin 0.0069 0.3392 0.3392
Loa Loa (eye worm) hypothetical protein 0.0069 0.3392 0.3392
Leishmania major alpha tubulin 0.0158 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0069 0.3392 1
Leishmania major alpha tubulin 0.0158 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0158 1 1
Entamoeba histolytica tubulin family protein 0.0158 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0158 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0158 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0089 0.493 0.493
Leishmania major beta tubulin 0.0158 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0158 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0158 1 1
Leishmania major gamma-tubulin 0.0158 1 1
Trypanosoma cruzi tubulin delta chain 0.0069 0.3392 0.3392
Echinococcus granulosus tubulin alpha 1C chain 0.0158 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0158 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.0158 1 1
Brugia malayi alpha-tubulin 0.0158 1 1
Schistosoma mansoni alpha tubulin 0.0158 1 1
Loa Loa (eye worm) BEN-1 protein 0.0158 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0158 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0158 1 1
Schistosoma mansoni tubulin subunit beta 0.0158 1 1
Trypanosoma cruzi zeta tubulin, putative 0.0069 0.3392 0.3392
Schistosoma mansoni alpha tubulin 0.0158 1 1
Entamoeba histolytica tubulin gamma chain 0.0158 1 1
Trypanosoma cruzi beta tubulin, putative 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0158 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0158 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0158 1 1
Echinococcus multilocularis tubulin alpha chain 0.0158 1 1
Echinococcus multilocularis tubulin alpha chain 0.0158 1 1
Trypanosoma cruzi tubulin delta chain 0.0069 0.3392 0.3392
Trichomonas vaginalis tubulin, putative 0.0089 0.493 0.493
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.493 0.493
Echinococcus multilocularis tubulin epsilon chain 0.0158 1 1
Giardia lamblia Beta tubulin 0.0158 1 1
Echinococcus multilocularis tubulin alpha chain 0.0158 1 1
Leishmania major zeta tubulin, putative 0.0069 0.3392 0.3392
Echinococcus multilocularis beta tubulin 0.0158 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0158 1 1
Leishmania major alpha tubulin 0.0158 1 1
Loa Loa (eye worm) tubulin beta chain 0.0158 1 1
Brugia malayi Tubulin gamma chain 0.0158 1 1
Echinococcus granulosus alpha tubulin 0.0158 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0158 1 1
Trypanosoma brucei alpha tubulin 0.0158 1 1
Echinococcus granulosus tubulin epsilon chain 0.0158 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0158 1 1
Trypanosoma cruzi zeta tubulin, putative 0.0069 0.3392 0.3392
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0069 0.3392 0.3392
Leishmania major epsilon tubulin, putative 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0089 0.493 0.493
Trypanosoma brucei epsilon tubulin 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0158 1 1
Brugia malayi Tubulin beta chain 0.0069 0.3392 0.3392
Loa Loa (eye worm) tubulin beta chain 0.0069 0.3392 0.3392
Plasmodium falciparum tubulin gamma chain 0.0158 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0089 0.493 0.493
Echinococcus granulosus beta tubulin 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0158 1 1
Onchocerca volvulus 0.0089 0.493 0.5
Leishmania major alpha tubulin 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0158 1 1
Trypanosoma brucei beta tubulin 0.0158 1 1
Plasmodium vivax tubulin beta chain, putative 0.0158 1 1
Trichomonas vaginalis tubulin, putative 0.0089 0.493 0.493
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0158 1 1
Plasmodium falciparum alpha tubulin 1 0.0158 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0158 1 1
Trypanosoma brucei beta tubulin 0.0158 1 1
Echinococcus granulosus beta tubulin 0.0158 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0158 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0158 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0158 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0069 0.3392 0.3392
Loa Loa (eye worm) BEN-1 protein 0.0158 1 1
Echinococcus multilocularis tubulin alpha chain 0.0158 1 1
Schistosoma mansoni tubulin subunit delta 0.0069 0.3392 0.3392
Leishmania major alpha tubulin 0.0158 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.493 0.493
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.3392 0.3392
Schistosoma mansoni tubulin subunit epsilon 0.0158 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0069 0.3392 0.3392
Schistosoma mansoni alpha tubulin 0.0158 1 1
Schistosoma mansoni tubulin subunit alpha 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0069 0.3392 0.3392
Loa Loa (eye worm) tubulin gamma chain 0.0158 1 1
Plasmodium falciparum alpha tubulin 2 0.0158 1 1
Echinococcus granulosus tubulin subunit beta 0.0158 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Trypanosoma brucei beta tubulin 0.0158 1 1
Echinococcus multilocularis tubulin alpha chain 0.0158 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0089 0.493 0.493
Mycobacterium leprae cell division protein FtsZ 0.0069 0.3392 0.5
Loa Loa (eye worm) alpha-tubulin 0.0158 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0158 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0158 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0069 0.3392 1
Plasmodium vivax tubulin epsilon chain, putative 0.0158 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0158 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0158 1 1
Echinococcus granulosus tubulin alpha chain 0.0158 1 1
Giardia lamblia Alpha-tubulin 0.0158 1 1
Plasmodium falciparum tubulin delta chain, putative 0.0069 0.3392 0.3392
Echinococcus granulosus Tubulin alpha 1 chain 0.0158 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Trypanosoma brucei tubulin gamma chain 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0158 1 1
Loa Loa (eye worm) beta-tubulin 0.0158 1 1
Leishmania major alpha tubulin 0.0158 1 1
Trichomonas vaginalis tubulin, putative 0.0069 0.3392 0.3392
Echinococcus granulosus tubulin subunit TubB 0.0158 1 1
Trypanosoma brucei tubulin delta chain 0.0069 0.3392 0.3392
Trypanosoma brucei epsilon tubulin 0.0158 1 1
Leishmania major beta tubulin 0.0158 1 1
Trypanosoma brucei zeta tubulin, putative 0.0069 0.3392 0.3392
Echinococcus granulosus Tubulin beta 2C chain 0.0158 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.493 0.493
Treponema pallidum cell division protein FtsZ 0.0069 0.3392 1
Brugia malayi Tubulin alpha-2 chain 0.0158 1 1
Plasmodium vivax tubulin gamma chain, putative 0.0158 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0069 0.3392 0.3392
Leishmania major beta tubulin 0.0158 1 1
Leishmania major alpha tubulin 0.0158 1 1
Plasmodium vivax delta tubulin, putative 0.0069 0.3392 0.3392

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3759 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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