Detailed information for compound 1725894

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.5 | Formula: C22H32N2O4
  • H donors: 0 H acceptors: 3 LogP: 4.72 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=C(OC)C(=O)C(=C(C1=O)CCCCCCCCCCn1cncc1)C
  • InChi: 1S/C22H32N2O4/c1-17-18(20(26)22(28-3)21(27-2)19(17)25)12-10-8-6-4-5-7-9-11-14-24-15-13-23-16-24/h13,15-16H,4-12,14H2,1-3H3
  • InChiKey: UDBOGLMAKRIFLD-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
Entamoeba histolytica tubulin family protein 0.0226 0.2927 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0226 0.2927 0.2927
Leishmania major histone deacetylase, putative 0.0126 0.0234 0.0385
Trichomonas vaginalis tubulin epsilon chain, putative 0.0171 0.1438 0.4912
Entamoeba histolytica tubulin alpha chain, putative 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0122 0.0126 0.0432
Giardia lamblia Beta tubulin 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin, putative 0.0226 0.2927 1
Trypanosoma brucei beta tubulin 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0226 0.2927 1
Entamoeba histolytica tubulin alpha-1 chain 0.0171 0.1438 0.4682
Plasmodium vivax tubulin alpha chain, putative 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0122 0.0126 0.0432
Loa Loa (eye worm) hypothetical protein 0.0126 0.0234 0.0234
Trypanosoma cruzi beta tubulin, putative 0.0226 0.2927 1
Schistosoma mansoni tubulin subunit alpha 0.0171 0.1438 0.4682
Trypanosoma brucei histone deacetylase 4 0.0126 0.0234 0.0385
Loa Loa (eye worm) hypothetical protein 0.0171 0.1438 0.1438
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
Echinococcus granulosus tubulin beta 1 chain 0.0226 0.2927 1
Plasmodium vivax histone deacetylase 2, putative 0.0126 0.0234 0.0385
Echinococcus granulosus histone deacetylase 0.0126 0.0234 0.0385
Schistosoma mansoni alpha tubulin 0.0171 0.1438 0.4682
Loa Loa (eye worm) tubulin gamma chain 0.0122 0.0126 0.0126
Echinococcus multilocularis Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Echinococcus multilocularis peroxisome assembly protein 26 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
Toxoplasma gondii beta-tubulin, putative 0.0226 0.2927 1
Echinococcus granulosus beta tubulin 0.0226 0.2927 1
Echinococcus granulosus tubulin subunit beta 0.0226 0.2927 1
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Loa Loa (eye worm) tubulin beta chain 0.0226 0.2927 0.2927
Echinococcus granulosus histone deacetylase 6 0.0126 0.0234 0.0385
Trypanosoma brucei alpha tubulin 0.0171 0.1438 0.4682
Schistosoma mansoni 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
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus granulosus peroxisome assembly protein 26 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin alpha chain 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
Loa Loa (eye worm) beta-tubulin 0.0226 0.2927 0.2927
Loa Loa (eye worm) hypothetical protein 0.0126 0.0234 0.0234
Brugia malayi Histone deacetylase family protein 0.0126 0.0234 0.0109
Loa Loa (eye worm) histone deacetylase 0.0126 0.0234 0.0234
Leishmania major histone deacetylase, putative 0.0126 0.0234 0.0385
Trichomonas vaginalis tubulin alpha chain, putative 0.0226 0.2927 1
Trypanosoma cruzi histone deacetylase, putative 0.0126 0.0234 0.0385
Leishmania major beta tubulin 0.0226 0.2927 1
Trypanosoma brucei alpha tubulin 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin beta 1 chain 0.0226 0.2927 1
Echinococcus multilocularis histone deacetylase 6 0.0126 0.0234 0.0385
Schistosoma mansoni histone deacetylase 4 5 0.0126 0.0234 0.0385
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0171 0.1438 0.4682
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
Trypanosoma brucei beta tubulin 0.0226 0.2927 1
Echinococcus granulosus histone deacetylase 6 0.0126 0.0234 0.0385
Entamoeba histolytica tubulin family protein 0.0226 0.2927 1
Loa Loa (eye worm) tubulin alpha chain 0.0171 0.1438 0.1438
Schistosoma mansoni histone deacetylase hda2 0.0126 0.0234 0.0385
Leishmania major beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0171 0.1438 0.4912
Echinococcus granulosus tubulin beta 4A class IVa 0.0226 0.2927 1
Toxoplasma gondii histone deacetylase HDAC1 0.0126 0.0234 0.0385
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Echinococcus granulosus histone deacetylase 6 0.0126 0.0234 0.0385
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Leishmania major 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
Brugia malayi Tubulin beta-1 chain 0.0226 0.2927 0.2836
Trichomonas vaginalis tubulin alpha chain, putative 0.0122 0.0126 0.0432
Trypanosoma brucei alpha tubulin 0.0171 0.1438 0.4682
Echinococcus granulosus tubulin alpha 1C chain 0.0171 0.1438 0.4682
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Brugia malayi Histone deacetylase family protein 0.0126 0.0234 0.0109
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Brugia malayi alpha-tubulin 0.0171 0.1438 0.1328
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 alpha tubulin 0.0171 0.1438 0.4682
Brugia malayi tubulin alpha chain - mouse 0.0171 0.1438 0.1328
Trypanosoma brucei alpha tubulin 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Trypanosoma brucei beta tubulin 0.0226 0.2927 1
Trypanosoma cruzi histone deacetylase, putative 0.0126 0.0234 0.0385
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Loa Loa (eye worm) BEN-1 protein 0.0226 0.2927 0.2927
Echinococcus multilocularis beta tubulin 0.0226 0.2927 1
Toxoplasma gondii alpha-tubulin I, putative 0.0171 0.1438 0.4682
Trypanosoma cruzi alpha tubulin, putative 0.0171 0.1438 0.4682
Brugia malayi beta-tubulin, identical 0.0226 0.2927 0.2836
Plasmodium vivax tubulin beta chain, putative 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis histone deacetylase 7 0.0126 0.0234 0.0385
Loa Loa (eye worm) alpha-tubulin 0.0171 0.1438 0.1438
Leishmania major beta tubulin 0.0226 0.2927 1
Schistosoma mansoni alpha tubulin 0.0171 0.1438 0.4682
Toxoplasma gondii beta-1 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
Echinococcus multilocularis tubulin alpha 3 chain 0.0171 0.1438 0.4682
Trypanosoma brucei histone deacetylase 3 0.0126 0.0234 0.0385
Loa Loa (eye worm) BEN-1 protein 0.0226 0.2927 0.2927
Echinococcus multilocularis histone deacetylase 6 0.0126 0.0234 0.0385
Echinococcus granulosus Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha 3 chain 0.0171 0.1438 0.4682
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Echinococcus multilocularis hypothetical protein 0.0171 0.1438 0.4682
Echinococcus granulosus histone deacetylase 7 0.0126 0.0234 0.0385
Loa Loa (eye worm) tubulin beta-1 chain 0.0226 0.2927 0.2927
Giardia lamblia Beta tubulin 0.0226 0.2927 1
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Trypanosoma brucei histone deacetylase, putative 0.0126 0.0234 0.0385
Brugia malayi tubulin alpha-2 chain 0.0171 0.1438 0.1328
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Leishmania major beta tubulin 0.0226 0.2927 1
Schistosoma mansoni tubulin subunit alpha 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin subunit beta 0.0226 0.2927 1
Echinococcus multilocularis tubulin subunit TubB 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Brugia malayi Tubulin alpha-2 chain 0.0171 0.1438 0.1328
Echinococcus multilocularis tubulin alpha 1C chain 0.0171 0.1438 0.4682
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Plasmodium falciparum histone deacetylase 2 0.0126 0.0234 0.0385
Plasmodium falciparum tubulin beta chain 0.0226 0.2927 1
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Trypanosoma brucei beta tubulin 0.0226 0.2927 1
Giardia lamblia Beta tubulin 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0171 0.1438 0.4682
Echinococcus granulosus beta tubulin 0.0226 0.2927 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0226 0.2927 1
Loa Loa (eye worm) tubulin alpha chain 0.0171 0.1438 0.1438
Echinococcus granulosus tubulin alpha chain 0.0171 0.1438 0.4682
Giardia lamblia Alpha-tubulin 0.0171 0.1438 0.4682
Echinococcus multilocularis tubulin alpha chain 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin epsilon chain, putative 0.0226 0.2927 1
Toxoplasma gondii beta tubulin 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Echinococcus granulosus tubulin alpha 1C chain 0.0171 0.1438 0.4682
Echinococcus granulosus tubulin subunit TubB 0.0171 0.1438 0.4682
Toxoplasma gondii alpha tubulin TUBA1 0.0171 0.1438 0.4682
Echinococcus granulosus Tubulin beta 2C chain 0.0226 0.2927 1
Echinococcus multilocularis tubulin alpha chain 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0226 0.2927 1
Echinococcus granulosus alpha tubulin 0.0171 0.1438 0.4682
Loa Loa (eye worm) histone deacetylase 7A 0.0126 0.0234 0.0234
Trypanosoma cruzi histone deacetylase, putative 0.0126 0.0234 0.0385
Trichomonas vaginalis tubulin beta chain, putative 0.0171 0.1438 0.4912
Echinococcus multilocularis tubulin alpha 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 alpha chain 0.0171 0.1438 0.4682
Brugia malayi Tubulin alpha chain 0.0171 0.1438 0.1328
Schistosoma mansoni histone deacetylase 4 5 0.0126 0.0234 0.0385
Echinococcus multilocularis Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Plasmodium falciparum histone deacetylase, putative 0.0126 0.0234 0.0385
Leishmania major beta tubulin 0.0226 0.2927 1
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Echinococcus multilocularis histone deacetylase 6 0.0126 0.0234 0.0385
Schistosoma mansoni tubulin subunit beta 0.0226 0.2927 1
Loa Loa (eye worm) alpha-tubulin 0.0171 0.1438 0.1438
Echinococcus granulosus Tubulin alpha 1 chain 0.0171 0.1438 0.4682
Plasmodium vivax tubulin alpha chain, putative 0.0171 0.1438 0.4682
Leishmania major alpha tubulin 0.0171 0.1438 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0226 0.2927 1
Leishmania major beta tubulin 0.0226 0.2927 1
Plasmodium vivax histone deacetylase, putative 0.0126 0.0234 0.0385
Echinococcus multilocularis beta tubulin 0.0226 0.2927 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0171 0.1438 0.4912
Giardia lamblia Alpha-tubulin 0.0171 0.1438 0.4682
Echinococcus granulosus tubulin alpha 3 chain 0.0171 0.1438 0.4682

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 15 uM Antiproliferative activity against human mitochondrial gene-knockout HL60 cells after 48 hrs by MTT assay ChEMBL. 23432053

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23432053

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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