Detailed information for compound 1722919

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.369 | Formula: C19H21FO3
  • H donors: 0 H acceptors: 0 LogP: 4.81 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: [18F]CCCOc1ccc(cc1)/C=C/c1cc(OC)cc(c1)OC
  • InChi: 1S/C19H21FO3/c1-21-18-12-16(13-19(14-18)22-2)5-4-15-6-8-17(9-7-15)23-11-3-10-20/h4-9,12-14H,3,10-11H2,1-2H3/b5-4+/i20-1
  • InChiKey: ZULYBXQEZWZPQA-QUTBUYTASA-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 epsilon tubulin, putative 0.0798 0.4597 0.3418
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Trypanosoma brucei alpha tubulin 0.1007 0.5901 0.5007
Echinococcus granulosus peroxisome assembly protein 26 0.1007 0.5901 0.5888
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Plasmodium falciparum tubulin gamma chain 0.0798 0.4597 0.3418
Echinococcus granulosus Tubulin alpha 1 chain 0.1007 0.5901 0.5888
Loa Loa (eye worm) hypothetical protein 0.0064 0.0032 0.0032
Trichomonas vaginalis tubulin alpha chain, putative 0.0798 0.4597 0.3418
Mycobacterium ulcerans cell division protein FtsZ 0.0346 0.1791 0.5
Echinococcus granulosus tubulin gamma 1 chain 0.0798 0.4597 0.4579
Brugia malayi tubulin alpha chain - mouse 0.1007 0.5901 0.5901
Plasmodium vivax tubulin alpha chain, putative 0.1007 0.5901 0.5007
Loa Loa (eye worm) tubulin alpha chain 0.1007 0.5901 0.5901
Echinococcus granulosus tubulin alpha chain 0.1007 0.5901 0.5888
Echinococcus granulosus tubulin alpha chain 0.1007 0.5901 0.5888
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Echinococcus multilocularis hypothetical protein 0.1007 0.5901 0.5888
Trichomonas vaginalis tubulin epsilon chain, putative 0.1007 0.5901 0.5007
Echinococcus multilocularis Tubulin alpha 1 chain 0.1007 0.5901 0.5888
Plasmodium falciparum alpha tubulin 2 0.1007 0.5901 0.5007
Toxoplasma gondii alpha-tubulin I, putative 0.1007 0.5901 0.5007
Loa Loa (eye worm) alpha-tubulin 0.1007 0.5901 0.5901
Echinococcus granulosus Tubulin alpha 1 chain 0.1007 0.5901 0.5888
Schistosoma mansoni tubulin subunit alpha 0.1007 0.5901 0.5888
Trypanosoma cruzi epsilon tubulin, putative 0.0798 0.4597 0.3418
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0556 0.3095 0.1588
Onchocerca volvulus 0.0451 0.2444 0.5
Loa Loa (eye worm) hypothetical protein 0.0556 0.3095 0.3095
Trypanosoma brucei beta tubulin 0.0798 0.4597 0.3418
Schistosoma mansoni tubulin subunit epsilon 0.0798 0.4597 0.4579
Plasmodium vivax tubulin epsilon chain, putative 0.0798 0.4597 0.3418
Trichomonas vaginalis tubulin alpha chain, putative 0.0451 0.2444 0.0795
Loa Loa (eye worm) tubulin beta chain 0.0346 0.1791 0.1791
Plasmodium vivax tubulin alpha chain, putative 0.1007 0.5901 0.5007
Loa Loa (eye worm) tubulin alpha 2 0.0661 0.3748 0.3748
Echinococcus multilocularis tubulin alpha chain 0.1007 0.5901 0.5888
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Brugia malayi Tubulin gamma chain 0.0798 0.4597 0.4597
Toxoplasma gondii alpha tubulin TUBA1 0.1007 0.5901 0.5007
Entamoeba histolytica tubulin alpha-1 chain 0.1007 0.5901 0.2414
Schistosoma mansoni alpha tubulin 0.1007 0.5901 0.5888
Brugia malayi tubulin alpha-2 chain 0.1007 0.5901 0.5901
Giardia lamblia Alpha-tubulin 0.1007 0.5901 0.5007
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0798 0.4597 0.3418
Echinococcus multilocularis tubulin alpha chain 0.1007 0.5901 0.5888
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Echinococcus multilocularis tubulin epsilon chain 0.0798 0.4597 0.4579
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Echinococcus granulosus tubulin subunit TubB 0.1007 0.5901 0.5888
Echinococcus granulosus alpha tubulin 0.1007 0.5901 0.5888
Loa Loa (eye worm) hypothetical protein 0.1007 0.5901 0.5901
Trypanosoma brucei epsilon tubulin 0.0798 0.4597 0.3418
Echinococcus multilocularis tubulin alpha 0.0798 0.4597 0.4579
Entamoeba histolytica tubulin alpha chain, putative 0.1007 0.5901 0.2414
Mycobacterium leprae cell division protein FtsZ 0.0346 0.1791 0.5
Trypanosoma brucei alpha tubulin 0.1007 0.5901 0.5007
Schistosoma mansoni alpha tubulin 0.1007 0.5901 0.5888
Echinococcus granulosus tubulin alpha chain 0.1007 0.5901 0.5888
Brugia malayi alpha-tubulin 0.1007 0.5901 0.5901
Trichomonas vaginalis tubulin beta chain, putative 0.1007 0.5901 0.5007
Schistosoma mansoni tubulin subunit alpha 0.1007 0.5901 0.5888
Plasmodium vivax tubulin gamma chain, putative 0.0798 0.4597 0.3418
Echinococcus multilocularis tubulin alpha chain 0.1007 0.5901 0.5888
Echinococcus multilocularis tubulin alpha 3 chain 0.1007 0.5901 0.5888
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0661 0.3748 0.2384
Trypanosoma brucei epsilon tubulin 0.0798 0.4597 0.3418
Trichomonas vaginalis tubulin beta chain, putative 0.1007 0.5901 0.5007
Echinococcus multilocularis tubulin alpha chain 0.1007 0.5901 0.5888
Echinococcus multilocularis tubulin subunit TubB 0.1007 0.5901 0.5888
Schistosoma mansoni hypothetical protein 0.0339 0.1747 0.172
Trichomonas vaginalis tubulin alpha chain, putative 0.0451 0.2444 0.0795
Trichomonas vaginalis tubulin beta chain, putative 0.0451 0.2444 0.0795
Trichomonas vaginalis tubulin, putative 0.0451 0.2444 0.0795
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0451 0.2444 0.0795
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.1007 0.5901 0.5007
Echinococcus granulosus tubulin alpha 3 chain 0.1007 0.5901 0.5888
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0064 0.0032 0.0032
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.022 0.1005 0.0976
Brugia malayi Cell division protein ftsZ 0.0346 0.1791 0.1791
Loa Loa (eye worm) tubulin gamma chain 0.0798 0.4597 0.4597
Trichomonas vaginalis tubulin alpha chain, putative 0.0451 0.2444 0.0795
Trypanosoma brucei alpha tubulin, putative 0.0451 0.2444 0.0795
Echinococcus multilocularis tubulin alpha chain 0.1007 0.5901 0.5888
Trichomonas vaginalis tubulin beta chain, putative 0.1007 0.5901 0.5007
Loa Loa (eye worm) tubulin alpha-2 chain 0.1007 0.5901 0.5901
Echinococcus granulosus tubulin delta chain 0.0346 0.1791 0.1764
Trichomonas vaginalis tubulin gamma chain, putative 0.0798 0.4597 0.3418
Echinococcus granulosus Tubulin alpha 1 chain 0.1007 0.5901 0.5888
Trichomonas vaginalis tubulin epsilon chain, putative 0.1007 0.5901 0.5007
Trichomonas vaginalis tubulin, putative 0.0451 0.2444 0.0795
Brugia malayi Tubulin alpha-2 chain 0.1007 0.5901 0.5901
Echinococcus granulosus tubulin alpha 0.0798 0.4597 0.4579
Brugia malayi MH2 domain containing protein 0.0122 0.0398 0.0398
Schistosoma mansoni tubulin subunit beta 0.0346 0.1791 0.1764
Brugia malayi Tubulin beta chain 0.0346 0.1791 0.1791
Trypanosoma brucei alpha tubulin 0.1007 0.5901 0.5007
Trypanosoma brucei epsilon tubulin 0.0798 0.4597 0.3418
Brugia malayi follicle stimulating hormone receptor 0.0271 0.1323 0.1323
Giardia lamblia Alpha-tubulin 0.1007 0.5901 0.5007
Treponema pallidum cell division protein FtsZ 0.0346 0.1791 0.5
Schistosoma mansoni alpha tubulin 0.1007 0.5901 0.5888
Plasmodium falciparum alpha tubulin 1 0.1007 0.5901 0.5007
Loa Loa (eye worm) tubulin alpha 2 0.021 0.0941 0.0941
Trypanosoma brucei tubulin gamma chain 0.0798 0.4597 0.3418
Loa Loa (eye worm) alpha-tubulin 0.1007 0.5901 0.5901
Loa Loa (eye worm) MBCTL1 0.0064 0.0032 0.0032
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0398 0.0398
Echinococcus multilocularis Tubulin alpha 1 chain 0.1007 0.5901 0.5888
Echinococcus granulosus tubulin epsilon chain 0.0798 0.4597 0.4579
Schistosoma mansoni tubulin subunit alpha 0.0346 0.1791 0.1764
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Trichomonas vaginalis tubulin beta chain, putative 0.1007 0.5901 0.5007
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Loa Loa (eye worm) tubulin alpha-3 chain 0.0556 0.3095 0.3095
Trichomonas vaginalis tubulin gamma chain, putative 0.0798 0.4597 0.3418
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0271 0.1323 0.1323
Mycobacterium tuberculosis Cell division protein FtsZ 0.0346 0.1791 0.5
Echinococcus granulosus tubulin alpha chain 0.1007 0.5901 0.5888
Plasmodium falciparum tubulin epsilon chain, putative 0.0798 0.4597 0.3418
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0398 0.0398
Trypanosoma cruzi epsilon tubulin, putative 0.0798 0.4597 0.3418
Trypanosoma brucei alpha tubulin 0.1007 0.5901 0.5007
Brugia malayi Tubulin alpha chain 0.1007 0.5901 0.5901
Trypanosoma cruzi alpha tubulin, putative 0.1007 0.5901 0.5007
Leishmania major gamma-tubulin 0.0798 0.4597 0.3418
Brugia malayi Tubulin alpha-2 chain 0.1007 0.5901 0.5901
Echinococcus multilocularis tubulin delta chain 0.0346 0.1791 0.1764
Echinococcus multilocularis peroxisome assembly protein 26 0.1007 0.5901 0.5888
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Echinococcus multilocularis tubulin alpha 1C chain 0.1007 0.5901 0.5888
Echinococcus granulosus endonuclease exonuclease phosphatase 0.022 0.1005 0.0976
Schistosoma mansoni tubulin subunit gamma 0.0798 0.4597 0.4579
Schistosoma mansoni tubulin subunit delta 0.0346 0.1791 0.1764
Loa Loa (eye worm) tubulin alpha 2 0.0661 0.3748 0.3748
Echinococcus granulosus tubulin alpha 1C chain 0.1007 0.5901 0.5888
Trichomonas vaginalis tubulin beta chain, putative 0.1007 0.5901 0.5007
Schistosoma mansoni tubulin subunit alpha 0.1007 0.5901 0.5888
Loa Loa (eye worm) tubulin alpha chain 0.1007 0.5901 0.5901
Echinococcus multilocularis Tubulin alpha 1 chain 0.1007 0.5901 0.5888
Giardia lamblia Gamma tubulin 0.0798 0.4597 0.3418
Echinococcus multilocularis tubulin alpha 1C chain 0.1007 0.5901 0.5888
Brugia malayi Tubulin alpha chain 0.0346 0.1791 0.1791
Echinococcus granulosus tubulin alpha 1C chain 0.1007 0.5901 0.5888
Trichomonas vaginalis tubulin beta chain, putative 0.1007 0.5901 0.5007
Leishmania major alpha tubulin 0.1007 0.5901 0.5007
Brugia malayi Tubulin beta chain 0.0451 0.2444 0.2444
Trypanosoma cruzi tubulin gamma chain 0.0798 0.4597 0.3418
Echinococcus multilocularis tubulin gamma 1 chain 0.0798 0.4597 0.4579
Echinococcus granulosus tubulin alpha chain 0.1007 0.5901 0.5888
Echinococcus granulosus tubulin alpha 3 chain 0.1007 0.5901 0.5888
Echinococcus multilocularis tubulin alpha 3 chain 0.1007 0.5901 0.5888
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0346 0.1791 0.5
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0661 0.3748 0.3748
Loa Loa (eye worm) hypothetical protein 0.0661 0.3748 0.3748

Activities

Activity type Activity value Assay description Source Reference
Drug uptake (ADMET) = 1 % ID/g Drug uptake in ICR mouse brain at 1.11 MBq, iv after 120 mins postinjection ChEMBL. 22236086

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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