Detailed information for compound 1085413

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 649.779 | Formula: C38H43N5O5
  • H donors: 3 H acceptors: 4 LogP: 7.19 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)Nc1nc2c(n1[C@@H](C1CCCCC1)C)cc1c(c2)c(=O)cc(o1)c1ccc(cc1)C(=O)N[C@H](C(=O)N)CC(C)C
  • InChi: 1S/C38H43N5O5/c1-22(2)18-31(36(39)45)41-37(46)26-12-10-25(11-13-26)34-21-33(44)29-19-30-32(20-35(29)48-34)43(23(3)24-8-6-5-7-9-24)38(42-30)40-27-14-16-28(47-4)17-15-27/h10-17,19-24,31H,5-9,18H2,1-4H3,(H2,39,45)(H,40,42)(H,41,46)/t23-,31+/m1/s1
  • InChiKey: JEZQQOPCGJRMDS-IPBJYNAHSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens eukaryotic translation elongation factor 1 alpha 2 Starlite/ChEMBL References
Homo sapiens eukaryotic translation elongation factor 1 alpha 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans One of 3 closely related C. albicans translation elongation factor EF-1 alpha genes Get druggable targets OG5_126631 All targets in OG5_126631
Entamoeba histolytica elongation factor 1-alpha 1 Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium knowlesi elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania major elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Entamoeba histolytica elongation factor 1-alpha 1 Get druggable targets OG5_126631 All targets in OG5_126631
Brugia malayi elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trichomonas vaginalis elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Babesia bovis elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Candida albicans One of 3 closely related C. albicans translation elongation factor EF-1 alpha genes Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium yoelii translation elongation factor EF-1, subunit alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma cruzi elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania major elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma congolense elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Toxoplasma gondii elongation factor 1-alpha (EF-1-ALPHA), putative Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma cruzi elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Onchocerca volvulus Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania infantum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania major elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Brugia malayi elongation factor 1-alpha (EF-1-alpha) Get druggable targets OG5_126631 All targets in OG5_126631
Candida albicans One of 3 closely related translation elongation factor EF-1 alpha genes Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania mexicana elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Onchocerca volvulus Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania mexicana elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trichomonas vaginalis translation factor, putative Get druggable targets OG5_126631 All targets in OG5_126631
Candida albicans One of 3 closely related C. albicans translation elongation factor EF-1 alpha genes Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania infantum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Giardia lamblia Elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Loa Loa (eye worm) elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania braziliensis elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma cruzi elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium falciparum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania major elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium falciparum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma cruzi elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium yoelii translation elongation factor EF-1, subunit alpha Get druggable targets OG5_126631 All targets in OG5_126631
Candida albicans One of 3 closely related translation elongation factor EF-1 alpha genes Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania infantum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium knowlesi elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Entamoeba histolytica elongation factor 1-alpha 1 Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium vivax elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Echinococcus granulosus elongation factor 1 alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma brucei elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Loa Loa (eye worm) eukaryotic translation elongation factor 1A Get druggable targets OG5_126631 All targets in OG5_126631
Schistosoma mansoni elongation factor 1-alpha (ef-1-alpha) Get druggable targets OG5_126631 All targets in OG5_126631
Trichomonas vaginalis translation factor, putative Get druggable targets OG5_126631 All targets in OG5_126631
Trichomonas vaginalis elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Candida albicans One of 3 closely related C. albicans translation elongation factor EF-1 alpha genes Get druggable targets OG5_126631 All targets in OG5_126631
Babesia bovis elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania mexicana elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Theileria parva elongation factor 1 alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Neospora caninum Elongation factor 1-alpha, related Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania infantum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania donovani elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania infantum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma brucei elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium yoelii translation elongation factor EF-1, subunit alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania mexicana elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma brucei elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Giardia lamblia Elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium berghei elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Plasmodium berghei elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania infantum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma brucei gambiense elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Cryptosporidium hominis elongation factor 1-alpha (EF-1-ALPHA) Get druggable targets OG5_126631 All targets in OG5_126631
Neospora caninum Elongation factor 1-alpha, related Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma cruzi elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Schistosoma japonicum ko:K03231 elongation factor EF-1 alpha subunit, putative Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma cruzi elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania major elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Cryptosporidium parvum elongation factor 1 alpha Get druggable targets OG5_126631 All targets in OG5_126631
Toxoplasma gondii elongation factor 1-alpha (EF-1-ALPHA), putative Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania major elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma cruzi elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Trypanosoma brucei gambiense elongation factor 1-alpha, putative Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania major elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Leishmania infantum elongation factor 1-alpha Get druggable targets OG5_126631 All targets in OG5_126631
Echinococcus multilocularis elongation factor 1 alpha Get druggable targets OG5_126631 All targets in OG5_126631

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum elongation factor Tu, putative eukaryotic translation elongation factor 1 alpha 1 462 aa 383 aa 32.4 %
Plasmodium falciparum elongation factor Tu, putative eukaryotic translation elongation factor 1 alpha 2 463 aa 458 aa 30.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi elongation factor 1-alpha (EF-1-alpha) 0.0026 1 1
Plasmodium falciparum elongation factor Tu 0.0005 0.0301 0.0301
Leishmania major elongation factor Tu, putative 0.0005 0.0301 0.0301
Entamoeba histolytica elongation factor 1-alpha 1 0.0026 1 1
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0026 1 1
Trichomonas vaginalis translation factor, putative 0.0026 1 1
Trichomonas vaginalis translation factor, putative 0.0026 0.9991 0.9991
Brugia malayi Elongation factor Tu C-terminal domain containing protein 0.0005 0.0301 0.0301
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0026 1 1
Plasmodium vivax elongation factor 1-alpha, putative 0.0026 1 1
Brugia malayi elongation factor Tu homologue precursor 0.0005 0.0301 0.0301
Plasmodium falciparum elongation factor 1-alpha 0.0026 1 1
Toxoplasma gondii elongation factor Tu, putative 0.0005 0.0301 0.0301
Chlamydia trachomatis elongation factor Tu 0.0005 0.0301 0.5
Toxoplasma gondii elongation factor 1-alpha (EF-1-ALPHA), putative 0.0026 1 1
Toxoplasma gondii elongation factor tu, apicoplast, putative 0.0005 0.0301 0.0301
Entamoeba histolytica elongation factor 1-alpha 1 0.0026 1 1
Trypanosoma brucei elongation factor 1-alpha 0.0026 1 1
Echinococcus granulosus elongation factor tu ef tu 0.0005 0.0301 0.0301
Wolbachia endosymbiont of Brugia malayi elongation factor Tu 0.0005 0.0301 0.5
Toxoplasma gondii elongation factor 1-alpha (EF-1-ALPHA), putative 0.0026 1 1
Loa Loa (eye worm) eukaryotic translation elongation factor 1A 0.0026 1 1
Trichomonas vaginalis elongation factor 1-alpha, putative 0.0026 1 1
Trypanosoma brucei elongation factor 1-alpha 0.0026 1 1
Schistosoma mansoni elongation factor 1-alpha (ef-1-alpha) 0.0026 1 1
Mycobacterium ulcerans elongation factor Tu 0.0005 0.0301 0.5
Leishmania major elongation factor 1-alpha 0.0026 1 1
Echinococcus granulosus g1 to s phase transition protein 0.0005 0.0301 0.0301
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0026 1 1
Schistosoma mansoni elongation factor 1-alpha (ef-1-alpha) 0.0005 0.0292 0.0292
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0026 1 1
Entamoeba histolytica elongation factor 1-alpha 1 0.0026 1 1
Trypanosoma brucei elongation factor 1-alpha 0.0026 1 1
Leishmania major elongation factor 1-alpha 0.0026 1 1
Loa Loa (eye worm) elongation factor Tu domain-containing protein 0.0005 0.0301 0.0301
Leishmania major elongation factor 1-alpha 0.0026 1 1
Trypanosoma brucei EF-1-alpha 0.0005 0.0301 0.0301
Plasmodium falciparum elongation factor Tu, putative 0.0005 0.0301 0.0301
Plasmodium falciparum elongation factor 1-alpha 0.0026 1 1
Loa Loa (eye worm) elongation factor 1-alpha 0.0026 1 1
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0026 1 1
Onchocerca volvulus 0.0026 1 0.5
Schistosoma mansoni elongation factor tu (ef-tu) 0.0005 0.0301 0.0301
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0026 1 1
Echinococcus granulosus elongation factor 1 alpha 0.0026 1 1
Echinococcus multilocularis elongation factor 1 alpha 0.0026 1 1
Treponema pallidum elongation factor Tu 0.0005 0.0301 0.5
Plasmodium vivax elongation factor Tu, mitochondrial precursor, putative 0.0005 0.0301 0.0301
Schistosoma mansoni elongation factor tu (ef-tu) 0.0005 0.0301 0.0301
Trichomonas vaginalis sulfate adenylyltransferase subunit, putative 0.0005 0.0301 0.0301
Wolbachia endosymbiont of Brugia malayi elongation factor Tu 0.0005 0.0301 0.5
Leishmania major elongation factor 1-alpha 0.0026 1 1
Echinococcus multilocularis g1 to s phase transition protein 0.0005 0.0301 0.0301
Giardia lamblia Elongation factor 1-alpha 0.0026 1 1
Echinococcus multilocularis elongation factor tu (ef tu) 0.0005 0.0301 0.0301
Giardia lamblia Elongation factor 1-alpha 0.0026 1 1
Schistosoma mansoni hypothetical protein 0.0005 0.0301 0.0301
Leishmania major elongation factor 1-alpha 0.0026 1 1
Onchocerca volvulus 0.0026 1 0.5
Trichomonas vaginalis elongation factor 1-alpha, putative 0.0025 0.9691 0.9691
Mycobacterium leprae PROBABLE IRON-REGULATED ELONGATION FACTOR TU TUF (EF-TU) 0.0005 0.0301 0.5
Loa Loa (eye worm) elongation factor Tu1 0.0005 0.0301 0.0301
Leishmania major elongation factor 1-alpha 0.0026 1 1
Trypanosoma cruzi elongation factor 1-alpha, putative 0.0026 0.9991 0.9991
Leishmania major elongation factor 1-alpha 0.0026 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Binding affinity to eEF1A1 in human MDA-MB-231 cells using biotinylated compound using Western blot analysis based pull down assay ChEMBL. 21599001
IC50 (functional) = 5 uM Cytotoxicity against estrogen-negative human MDA-MB-231 cells after 72 hrs by MTT assay ChEMBL. 21599001
IC50 (functional) = 5 uM Cytotoxicity against estrogen-positive human MCF7 cells after 72 hrs by MTT assay ChEMBL. 21599001
Kd (binding) = 3.74 nM Binding affinity to eEF1A1 expressed in human MDA-MB-231 cells using 1 uM biotinylated compound immobilized on streptavidin sensor chip by surface plasmon resonance method ChEMBL. 21599001
Kd (binding) = 4.89 nM Binding affinity to eEF1A2 expressed in human MDA-MB-231 cells using 1 uM biotinylated compound immobilized on streptavidin sensor chip by surface plasmon resonance method ChEMBL. 21599001

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21599001

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

1 literature reference was collected for this gene.

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