TDR Targets

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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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	epsilon tubulin, putative	0.0798	0.4597	0.3418
Loa Loa (eye worm)	MBCTL1	0.0064	0.0032	0.0032
Trichomonas vaginalis	tubulin beta chain, putative	0.1007	0.5901	0.5007
Echinococcus granulosus	Tubulin alpha 1 chain	0.1007	0.5901	0.5888
Trypanosoma brucei	alpha tubulin	0.1007	0.5901	0.5007
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0346	0.1791	0.5
Brugia malayi	Tubulin alpha-2 chain	0.1007	0.5901	0.5901
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.0398	0.0398
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0556	0.3095	0.3095
Loa Loa (eye worm)	tubulin alpha 2	0.0661	0.3748	0.3748
Loa Loa (eye worm)	alpha-tubulin	0.1007	0.5901	0.5901
Echinococcus multilocularis	tubulin alpha 1C chain	0.1007	0.5901	0.5888
Echinococcus multilocularis	peroxisome assembly protein 26	0.1007	0.5901	0.5888
Loa Loa (eye worm)	tubulin alpha 2	0.0661	0.3748	0.3748
Trichomonas vaginalis	tubulin beta chain, putative	0.1007	0.5901	0.5007
Brugia malayi	tubulin alpha chain - mouse	0.1007	0.5901	0.5901
Loa Loa (eye worm)	alpha-tubulin	0.1007	0.5901	0.5901
Schistosoma mansoni	tubulin subunit alpha	0.1007	0.5901	0.5888
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1007	0.5901	0.5888
Trichomonas vaginalis	tubulin alpha chain, putative	0.0451	0.2444	0.0795
Trichomonas vaginalis	tubulin beta chain, putative	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 3 chain	0.1007	0.5901	0.5888
Plasmodium falciparum	tubulin gamma chain	0.0798	0.4597	0.3418
Trypanosoma cruzi	alpha tubulin, putative	0.1007	0.5901	0.5007
Loa Loa (eye worm)	hypothetical protein	0.0661	0.3748	0.3748
Echinococcus multilocularis	hypothetical protein	0.1007	0.5901	0.5888
Echinococcus granulosus	tubulin gamma 1 chain	0.0798	0.4597	0.4579
Brugia malayi	tubulin alpha-2 chain	0.1007	0.5901	0.5901
Echinococcus multilocularis	tubulin alpha 1C chain	0.1007	0.5901	0.5888
Plasmodium vivax	tubulin alpha chain, putative	0.1007	0.5901	0.5007
Loa Loa (eye worm)	tubulin alpha 2	0.021	0.0941	0.0941
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0346	0.1791	0.5
Plasmodium vivax	tubulin gamma chain, putative	0.0798	0.4597	0.3418
Trypanosoma cruzi	tubulin gamma chain	0.0798	0.4597	0.3418
Mycobacterium leprae	cell division protein FtsZ	0.0346	0.1791	0.5
Treponema pallidum	cell division protein FtsZ	0.0346	0.1791	0.5
Echinococcus granulosus	tubulin alpha chain	0.1007	0.5901	0.5888
Echinococcus granulosus	tubulin alpha chain	0.1007	0.5901	0.5888
Schistosoma mansoni	tubulin subunit delta	0.0346	0.1791	0.1764
Echinococcus multilocularis	tubulin alpha	0.0798	0.4597	0.4579
Trichomonas vaginalis	tubulin beta chain, putative	0.1007	0.5901	0.5007
Echinococcus multilocularis	tubulin alpha chain	0.1007	0.5901	0.5888
Trypanosoma brucei	beta tubulin	0.0798	0.4597	0.3418
Trypanosoma brucei	epsilon tubulin	0.0798	0.4597	0.3418
Trichomonas vaginalis	tubulin epsilon chain, putative	0.1007	0.5901	0.5007
Entamoeba histolytica	tubulin alpha chain, putative	0.1007	0.5901	0.2414
Trypanosoma brucei	epsilon tubulin	0.0798	0.4597	0.3418
Schistosoma mansoni	alpha tubulin	0.1007	0.5901	0.5888
Trichomonas vaginalis	tubulin beta chain, putative	0.1007	0.5901	0.5007
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.022	0.1005	0.0976
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0271	0.1323	0.1323
Schistosoma mansoni	tubulin subunit alpha	0.1007	0.5901	0.5888
Trypanosoma brucei	tubulin gamma chain	0.0798	0.4597	0.3418
Plasmodium falciparum	alpha tubulin 1	0.1007	0.5901	0.5007
Mycobacterium ulcerans	cell division protein FtsZ	0.0346	0.1791	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.0451	0.2444	0.0795
Trypanosoma brucei	alpha tubulin	0.1007	0.5901	0.5007
Echinococcus multilocularis	tubulin gamma 1 chain	0.0798	0.4597	0.4579
Trypanosoma brucei	alpha tubulin, putative	0.0451	0.2444	0.0795
Echinococcus granulosus	tubulin subunit TubB	0.1007	0.5901	0.5888
Loa Loa (eye worm)	tubulin alpha-2 chain	0.1007	0.5901	0.5901
Trichomonas vaginalis	tubulin gamma chain, putative	0.0798	0.4597	0.3418
Echinococcus granulosus	tubulin alpha 1C chain	0.1007	0.5901	0.5888
Echinococcus granulosus	tubulin alpha	0.0798	0.4597	0.4579
Loa Loa (eye worm)	hypothetical protein	0.0556	0.3095	0.3095
Echinococcus granulosus	tubulin alpha chain	0.1007	0.5901	0.5888
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Echinococcus granulosus	tubulin delta chain	0.0346	0.1791	0.1764
Trichomonas vaginalis	tubulin beta chain, putative	0.0451	0.2444	0.0795
Loa Loa (eye worm)	hypothetical protein	0.1007	0.5901	0.5901
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0661	0.3748	0.2384
Trypanosoma brucei	epsilon tubulin	0.0798	0.4597	0.3418
Toxoplasma gondii	alpha-tubulin I, putative	0.1007	0.5901	0.5007
Schistosoma mansoni	tubulin subunit beta	0.0346	0.1791	0.1764
Schistosoma mansoni	tubulin subunit epsilon	0.0798	0.4597	0.4579
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Schistosoma mansoni	hypothetical protein	0.0339	0.1747	0.172
Echinococcus multilocularis	tubulin alpha chain	0.1007	0.5901	0.5888
Leishmania major	epsilon tubulin, putative	0.0798	0.4597	0.3418
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1007	0.5901	0.5888
Plasmodium vivax	tubulin epsilon chain, putative	0.0798	0.4597	0.3418
Echinococcus granulosus	peroxisome assembly protein 26	0.1007	0.5901	0.5888
Loa Loa (eye worm)	tubulin gamma chain	0.0798	0.4597	0.4597
Brugia malayi	Tubulin beta chain	0.0451	0.2444	0.2444
Echinococcus granulosus	tubulin epsilon chain	0.0798	0.4597	0.4579
Entamoeba histolytica	tubulin alpha-1 chain	0.1007	0.5901	0.2414
Echinococcus multilocularis	tubulin alpha chain	0.1007	0.5901	0.5888
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Brugia malayi	MH2 domain containing protein	0.0122	0.0398	0.0398
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Echinococcus multilocularis	tubulin alpha chain	0.1007	0.5901	0.5888
Trichomonas vaginalis	tubulin beta chain, putative	0.1007	0.5901	0.5007
Onchocerca volvulus		0.0451	0.2444	0.5
Echinococcus multilocularis	tubulin delta chain	0.0346	0.1791	0.1764
Echinococcus multilocularis	tubulin alpha chain	0.1007	0.5901	0.5888
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Brugia malayi	follicle stimulating hormone receptor	0.0271	0.1323	0.1323
Trypanosoma brucei	alpha tubulin	0.1007	0.5901	0.5007
Plasmodium falciparum	alpha tubulin 2	0.1007	0.5901	0.5007
Schistosoma mansoni	tubulin subunit gamma	0.0798	0.4597	0.4579
Trichomonas vaginalis	tubulin, putative	0.0451	0.2444	0.0795
Echinococcus granulosus	tubulin alpha 3 chain	0.1007	0.5901	0.5888
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.022	0.1005	0.0976
Loa Loa (eye worm)	tubulin alpha chain	0.1007	0.5901	0.5901
Brugia malayi	alpha-tubulin	0.1007	0.5901	0.5901
Echinococcus granulosus	tubulin alpha chain	0.1007	0.5901	0.5888
Echinococcus granulosus	alpha tubulin	0.1007	0.5901	0.5888
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0451	0.2444	0.0795
Echinococcus granulosus	tubulin alpha 3 chain	0.1007	0.5901	0.5888
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1007	0.5901	0.5888
Trichomonas vaginalis	tubulin epsilon chain, putative	0.1007	0.5901	0.5007
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.0398	0.0398
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0032	0.0032
Schistosoma mansoni	alpha tubulin	0.1007	0.5901	0.5888
Loa Loa (eye worm)	tubulin alpha chain	0.1007	0.5901	0.5901
Brugia malayi	Tubulin alpha-2 chain	0.1007	0.5901	0.5901
Trypanosoma brucei	alpha tubulin	0.1007	0.5901	0.5007
Plasmodium falciparum	tubulin epsilon chain, putative	0.0798	0.4597	0.3418
Echinococcus granulosus	tubulin alpha chain	0.1007	0.5901	0.5888
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Trichomonas vaginalis	tubulin gamma chain, putative	0.0798	0.4597	0.3418
Trichomonas vaginalis	tubulin alpha chain, putative	0.0451	0.2444	0.0795
Echinococcus granulosus	tubulin alpha 1C chain	0.1007	0.5901	0.5888
Schistosoma mansoni	alpha tubulin	0.1007	0.5901	0.5888
Giardia lamblia	Alpha-tubulin	0.1007	0.5901	0.5007
Trichomonas vaginalis	tubulin, putative	0.0451	0.2444	0.0795
Echinococcus multilocularis	tubulin subunit TubB	0.1007	0.5901	0.5888
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.1007	0.5901	0.5007
Toxoplasma gondii	alpha tubulin TUBA1	0.1007	0.5901	0.5007
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0661	0.3748	0.3748
Echinococcus granulosus	Tubulin alpha 1 chain	0.1007	0.5901	0.5888
Brugia malayi	Cell division protein ftsZ	0.0346	0.1791	0.1791
Brugia malayi	Tubulin alpha chain	0.0346	0.1791	0.1791
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Leishmania major	alpha tubulin	0.1007	0.5901	0.5007
Echinococcus multilocularis	tubulin alpha 3 chain	0.1007	0.5901	0.5888
Plasmodium vivax	tubulin alpha chain, putative	0.1007	0.5901	0.5007
Brugia malayi	Tubulin gamma chain	0.0798	0.4597	0.4597
Giardia lamblia	Gamma tubulin	0.0798	0.4597	0.3418
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0556	0.3095	0.1588
Echinococcus granulosus	Tubulin alpha 1 chain	0.1007	0.5901	0.5888
Brugia malayi	Tubulin alpha chain	0.1007	0.5901	0.5901
Schistosoma mansoni	tubulin subunit alpha	0.0346	0.1791	0.1764
Leishmania major	gamma-tubulin	0.0798	0.4597	0.3418
Brugia malayi	Tubulin beta chain	0.0346	0.1791	0.1791
Trichomonas vaginalis	tubulin alpha chain, putative	0.0798	0.4597	0.3418
Trypanosoma cruzi	epsilon tubulin, putative	0.0798	0.4597	0.3418
Giardia lamblia	Alpha-tubulin	0.1007	0.5901	0.5007
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0064	0.0032	0.0032
Echinococcus multilocularis	tubulin epsilon chain	0.0798	0.4597	0.4579
Loa Loa (eye worm)	tubulin beta chain	0.0346	0.1791	0.1791
Schistosoma mansoni	tubulin subunit alpha	0.1007	0.5901	0.5888

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

ChEMBL: CHEMBL2158609

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1722919