TDR Targets

Basic information

Technical information

TDR Targets ID: 351305
Name: 4-[(Z)-5-azido-1-[4-(2-dimethylaminoethyloxy) phenyl]-2-phenylpent-1-enyl]phenol
MW: 442.553 | Formula: C27H30N4O2
H donors: 1 H acceptors: 1 LogP: 7.51 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: [N-]=[N+]=NCCC/C(=C(\c1ccc(cc1)O)/c1ccc(cc1)OCCN(C)C)/c1ccccc1
InChi: 1S/C27H30N4O2/c1-31(2)19-20-33-25-16-12-23(13-17-25)27(22-10-14-24(32)15-11-22)26(9-6-18-29-30-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,32H,6,9,18-20H2,1-2H3/b27-26-
InChiKey: JTJSLKFUDOMDOL-RQZHXJHFSA-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

4-[(Z)-5-azido-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-pent-1-enyl]phenol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	estrogen receptor 1	Starlite/ChEMBL	References
Homo sapiens	estrogen-related receptor gamma	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	estrogen-related receptor gamma	435 aa	355 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	beta tubulin	0.0039	1	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0022	0.1484	0.1265
Brugia malayi	alpha-tubulin	0.0031	0.6136	0.6037
Loa Loa (eye worm)	BEN-1 protein	0.0039	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0022	0.1484	0.1484
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.025	0.025
Trichomonas vaginalis	tubulin beta chain, putative	0.0031	0.6136	0.6136
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0039	1	1
Plasmodium falciparum	tubulin beta chain	0.0039	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0031	0.6136	0.6136
Echinococcus granulosus	beta tubulin	0.0039	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0031	0.6136	0.5463
Trypanosoma brucei	alpha tubulin	0.0031	0.6136	0.5463
Plasmodium falciparum	alpha tubulin 1	0.0031	0.6136	0.5463
Loa Loa (eye worm)	hypothetical protein	0.002	0.025	0.025
Leishmania major	beta tubulin	0.0039	1	1
Echinococcus multilocularis	tubulin gamma 1 chain	0.0022	0.1484	0.1265
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Loa Loa (eye worm)	BEN-1 protein	0.0039	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.025	0.025
Leishmania major	beta tubulin	0.0039	1	1
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Leishmania major	beta tubulin	0.0039	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0031	0.6136	0.6037
Loa Loa (eye worm)	hypothetical protein	0.0031	0.6136	0.6136
Echinococcus multilocularis	beta tubulin	0.0039	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.025	0.025
Brugia malayi	Tubulin alpha-2 chain	0.0031	0.6136	0.6037
Brugia malayi	Tubulin gamma chain	0.0022	0.1484	0.1265
Trypanosoma brucei	beta tubulin	0.0039	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0031	0.6136	0.5463
Toxoplasma gondii	beta-1 tubulin, putative	0.0039	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0031	0.6136	0.5463
Brugia malayi	beta-tubulin, identical	0.0039	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0031	0.6136	0.5463
Loa Loa (eye worm)	beta-tubulin	0.0039	1	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0031	0.6136	0.6136
Brugia malayi	Tubulin alpha chain	0.0031	0.6136	0.6037
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0031	0.6136	0.6136
Onchocerca volvulus	Bile acid receptor homolog	0.002	0.025	0.5
Echinococcus granulosus	tubulin beta 1 chain	0.0039	1	1
Leishmania major	beta tubulin	0.0039	1	1
Echinococcus multilocularis	hypothetical protein	0.0031	0.6136	0.6037
Giardia lamblia	Alpha-tubulin	0.0031	0.6136	0.5463
Loa Loa (eye worm)	alpha-tubulin	0.0031	0.6136	0.6136
Entamoeba histolytica	tubulin family protein	0.0039	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0022	0.1427	0.1427
Echinococcus granulosus	peroxisome assembly protein 26	0.0031	0.6136	0.6037
Echinococcus multilocularis	tubulin alpha chain	0.0031	0.6136	0.6037
Plasmodium vivax	tubulin beta chain, putative	0.0039	1	1
Leishmania major	beta tubulin	0.0039	1	1
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Entamoeba histolytica	tubulin family protein	0.0039	1	1
Schistosoma mansoni	tubulin subunit beta	0.0039	1	1
Leishmania major	beta tubulin	0.0039	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0031	0.6136	0.6037
Trichomonas vaginalis	tubulin beta chain, putative	0.0031	0.6136	0.6136
Echinococcus granulosus	alpha tubulin	0.0031	0.6136	0.6037
Echinococcus granulosus	tubulin epsilon chain	0.0022	0.1484	0.1265
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Giardia lamblia	Alpha-tubulin	0.0031	0.6136	0.5463
Loa Loa (eye worm)	hypothetical protein	0.002	0.025	0.025
Echinococcus multilocularis	beta tubulin	0.0039	1	1
Schistosoma mansoni	tubulin subunit beta	0.0039	1	1
Echinococcus granulosus	tubulin subunit beta	0.0039	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.025	0.025
Echinococcus granulosus	Tubulin beta 2C chain	0.0039	1	1
Leishmania major	beta tubulin	0.0039	1	1
Leishmania major	beta tubulin	0.0039	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0039	1	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0039	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0031	0.6136	0.6136
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0031	0.6136	0.6136
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0039	1	1
Trypanosoma brucei	beta tubulin	0.0039	1	1
Trypanosoma brucei	beta tubulin	0.0039	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0039	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0022	0.1484	0.1484
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Trypanosoma brucei	alpha tubulin	0.0031	0.6136	0.5463
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Loa Loa (eye worm)	hypothetical protein	0.002	0.025	0.025
Echinococcus multilocularis	Tubulin beta 2C chain	0.0039	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.025	0.025
Schistosoma mansoni	tubulin subunit alpha	0.0031	0.6136	0.6037
Loa Loa (eye worm)	tubulin beta chain	0.0039	1	1
Leishmania major	beta tubulin	0.0039	1	1
Echinococcus granulosus	tubulin alpha chain	0.0031	0.6136	0.6037
Echinococcus granulosus	tubulin alpha chain	0.0031	0.6136	0.6037
Echinococcus granulosus	tubulin subunit TubB	0.0031	0.6136	0.6037
Echinococcus multilocularis	tubulin alpha chain	0.0031	0.6136	0.6037
Loa Loa (eye worm)	hypothetical protein	0.002	0.025	0.025
Leishmania major	beta tubulin	0.0039	1	1
Leishmania major	beta tubulin	0.0039	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0031	0.6136	0.6136
Schistosoma mansoni	tubulin subunit alpha	0.0031	0.6136	0.6037
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Leishmania major	beta tubulin	0.0039	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0039	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.025	0.025
Echinococcus multilocularis	tubulin alpha 3 chain	0.0031	0.6136	0.6037
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0022	0.1427	0.1427
Echinococcus multilocularis	tubulin alpha	0.0022	0.1484	0.1265
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0.025	0.5
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Leishmania major	beta tubulin	0.0039	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0039	1	1
Schistosoma mansoni	alpha tubulin	0.0031	0.6136	0.6037
Trichomonas vaginalis	tubulin gamma chain, putative	0.0039	1	1
Echinococcus granulosus	tubulin alpha	0.0022	0.1484	0.1265
Echinococcus multilocularis	tubulin epsilon chain	0.0022	0.1484	0.1265
Trichomonas vaginalis	tubulin alpha chain, putative	0.0022	0.1484	0.1484
Echinococcus granulosus	beta tubulin	0.0039	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0031	0.6136	0.6136
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0031	0.6136	0.6136
Leishmania major	beta tubulin	0.0039	1	1
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Loa Loa (eye worm)	tubulin alpha chain	0.0031	0.6136	0.6136
Echinococcus multilocularis	Tubulin beta 2C chain	0.0039	1	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0031	0.6136	0.6037
Trypanosoma brucei	alpha tubulin	0.0031	0.6136	0.5463
Trypanosoma brucei	alpha tubulin	0.0031	0.6136	0.5463
Echinococcus granulosus	tubulin alpha chain	0.0031	0.6136	0.6037
Toxoplasma gondii	alpha-tubulin I, putative	0.0031	0.6136	0.5463
Echinococcus granulosus	tubulin alpha chain	0.0031	0.6136	0.6037
Trypanosoma brucei	beta tubulin	0.0039	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0031	0.6136	0.6037
Leishmania major	beta tubulin	0.0039	1	1
Leishmania major	beta tubulin	0.0039	1	1
Toxoplasma gondii	beta tubulin	0.0039	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.025	0.025
Echinococcus granulosus	Tubulin alpha 1 chain	0.0031	0.6136	0.6037
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Giardia lamblia	Beta tubulin	0.0039	1	1
Schistosoma mansoni	tubulin subunit gamma	0.0022	0.1484	0.1265
Schistosoma mansoni	tubulin subunit beta	0.0039	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0031	0.6136	0.6037
Echinococcus granulosus	Tubulin alpha 1 chain	0.0031	0.6136	0.6037
Echinococcus granulosus	Tubulin beta 2C chain	0.0039	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0031	0.6136	0.5463
Entamoeba histolytica	tubulin alpha chain, putative	0.0031	0.6136	0.5463
Leishmania major	beta tubulin	0.0039	1	1
Schistosoma mansoni	tubulin subunit beta	0.0039	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.025	0.025
Echinococcus multilocularis	tubulin alpha 3 chain	0.0031	0.6136	0.6037
Echinococcus granulosus	tubulin alpha 1C chain	0.0031	0.6136	0.6037
Schistosoma mansoni	tubulin subunit beta	0.0039	1	1
Toxoplasma gondii	beta-tubulin, putative	0.0039	1	1
Schistosoma mansoni	tubulin subunit epsilon	0.0022	0.1484	0.1265
Trichomonas vaginalis	tubulin beta chain, putative	0.0039	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0031	0.6136	0.6037
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1427	0.1427
Schistosoma mansoni	tubulin subunit beta	0.0039	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0022	0.1484	0.1484
Brugia malayi	tubulin alpha-2 chain	0.0031	0.6136	0.6037
Echinococcus multilocularis	tubulin subunit TubB	0.0031	0.6136	0.6037
Trypanosoma cruzi	beta tubulin, putative	0.0039	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0031	0.6136	0.6037
Echinococcus granulosus	tubulin alpha 3 chain	0.0031	0.6136	0.6037
Echinococcus granulosus	Tubulin beta 2C chain	0.0039	1	1
Brugia malayi	tubulin alpha chain - mouse	0.0031	0.6136	0.6037
Trichomonas vaginalis	tubulin beta chain, putative	0.0031	0.6136	0.6136
Loa Loa (eye worm)	alpha-tubulin	0.0031	0.6136	0.6136
Loa Loa (eye worm)	tubulin beta-2A chain	0.0039	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0039	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0039	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0039	1	1
Giardia lamblia	Beta tubulin	0.0039	1	1
Echinococcus granulosus	tubulin alpha chain	0.0031	0.6136	0.6037
Loa Loa (eye worm)	tubulin alpha 2	0.0022	0.1427	0.1427
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.025	0.025
Trichomonas vaginalis	tubulin, putative	0.0039	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.025	0.025
Echinococcus multilocularis	tubulin alpha chain	0.0031	0.6136	0.6037
Plasmodium falciparum	alpha tubulin 2	0.0031	0.6136	0.5463
Onchocerca volvulus		0.002	0.025	0.5
Echinococcus granulosus	tubulin alpha 3 chain	0.0031	0.6136	0.6037
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Echinococcus granulosus	Tubulin alpha 1 chain	0.0031	0.6136	0.6037
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0.025	0.5
Loa Loa (eye worm)	tubulin beta-1 chain	0.0039	1	1
Schistosoma mansoni	alpha tubulin	0.0031	0.6136	0.6037
Echinococcus multilocularis	Tubulin beta 2C chain	0.0039	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0039	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0031	0.6136	0.6037
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0031	0.6136	0.6037
Echinococcus multilocularis	tubulin subunit beta	0.0039	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0031	0.6136	0.6037
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0022	0.1427	0.1427
Giardia lamblia	Beta tubulin	0.0039	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0031	0.6136	0.6037
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.025	0.025
Leishmania major	alpha tubulin	0.0031	0.6136	0.5463
Schistosoma mansoni	alpha tubulin	0.0031	0.6136	0.6037
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.025	0.025

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.013 uM	Displacement of [3H]estradiol from ERalpha	ChEMBL.	16307879
IC50 (binding)	= 0.013 uM	Displacement of [3H]estradiol from ERalpha	ChEMBL.	16307879
IC50 (binding)	= 0.16 uM	Displacement of [3H]4-OHT from ERRgamma	ChEMBL.	16307879
IC50 (binding)	= 0.16 uM	Displacement of [3H]4-OHT from ERRgamma	ChEMBL.	16307879
Ratio IC50 (binding)	= 0.5	Selectivity for ERRgamma over ERalpha relative to 4-hydroxytamoxifen	ChEMBL.	16307879

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: CHEMBL202615
PubChem: 24825447

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 351305