TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 410.549 | Formula: C25H34N2O3
H donors: 0 H acceptors: 0 LogP: 4.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)CCOC2(C)CCN1CCN(CC1)c1ccccc1C
InChi: 1S/C25H34N2O3/c1-19-7-5-6-8-22(19)27-14-12-26(13-15-27)11-10-25(2)21-18-24(29-4)23(28-3)17-20(21)9-16-30-25/h5-8,17-18H,9-16H2,1-4H3
InChiKey: FFEGREKIMFUPKY-UHFFFAOYSA-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
Echinococcus multilocularis	hexokinase	0.0164	0.4494	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0039	0.0296	0.066
Brugia malayi	tubulin alpha-2 chain	0.0056	0.087	0.087
Echinococcus multilocularis	hexokinase type 2	0.0164	0.4494	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0056	0.087	0.1937
Schistosoma mansoni	tubulin subunit alpha	0.0056	0.087	0.087
Brugia malayi	hexokinase	0.0164	0.4494	0.4494
Entamoeba histolytica	tubulin alpha chain, putative	0.0056	0.087	0.1937
Brugia malayi	Tubulin alpha-2 chain	0.0056	0.087	0.087
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0128	0.3287	0.7314
Echinococcus granulosus	alpha tubulin	0.0056	0.087	0.1937
Echinococcus granulosus	Tubulin alpha 1 chain	0.0056	0.087	0.1937
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0056	0.087	0.2648
Echinococcus granulosus	tubulin alpha chain	0.0056	0.087	0.1937
Toxoplasma gondii	alpha-tubulin I, putative	0.0056	0.087	0.087
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0327	1	1
Loa Loa (eye worm)	hexokinase	0.0164	0.4494	1
Trypanosoma cruzi	hexokinase, putative	0.0164	0.4494	0.4494
Trypanosoma brucei	alpha tubulin	0.0056	0.087	0.087
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Echinococcus granulosus	hexokinase	0.0164	0.4494	1
Echinococcus multilocularis	tubulin alpha chain	0.0056	0.087	0.1937
Plasmodium vivax	tubulin alpha chain, putative	0.0056	0.087	0.087
Loa Loa (eye worm)	hexokinase	0.0164	0.4494	1
Brugia malayi	alpha-tubulin	0.0056	0.087	0.087
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0737	0.164
Echinococcus granulosus	Tubulin alpha 1 chain	0.0056	0.087	0.1937
Giardia lamblia	Alpha-tubulin	0.0056	0.087	1
Giardia lamblia	Alpha-tubulin	0.0056	0.087	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0056	0.087	0.2648
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Trypanosoma brucei	RNA helicase, putative	0.0083	0.1777	0.1777
Loa Loa (eye worm)	alpha-tubulin	0.0056	0.087	0.1937
Echinococcus granulosus	tubulin alpha 3 chain	0.0056	0.087	0.1937
Schistosoma mansoni	tubulin subunit alpha	0.0056	0.087	0.087
Trypanosoma brucei	hexokinase	0.0164	0.4494	0.4494
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0327	1	1
Plasmodium falciparum	hexokinase	0.0164	0.4494	0.4494
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0039	0.0296	0.0902
Entamoeba histolytica	hexokinase 1	0.0164	0.4494	1
Onchocerca volvulus		0.0164	0.4494	1
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0327	1	0.5
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Echinococcus multilocularis	tubulin alpha 1C chain	0.0056	0.087	0.1937
Schistosoma mansoni	hypothetical protein	0.0083	0.1777	0.1777
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Echinococcus granulosus	tubulin subunit TubB	0.0056	0.087	0.1937
Loa Loa (eye worm)	hexokinase	0.0103	0.2441	0.5432
Echinococcus granulosus	tubulin alpha chain	0.0056	0.087	0.1937
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Schistosoma mansoni	tubulin subunit alpha	0.0056	0.087	0.087
Brugia malayi	Tubulin alpha chain	0.0056	0.087	0.087
Trypanosoma cruzi	hexokinase, putative	0.0164	0.4494	0.4494
Onchocerca volvulus		0.0164	0.4494	1
Entamoeba histolytica	hexokinase 2	0.0164	0.4494	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0128	0.3287	0.3287
Plasmodium falciparum	alpha tubulin 2	0.0056	0.087	0.087
Echinococcus multilocularis	tubulin alpha chain	0.0056	0.087	0.1937
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0327	1	0.5
Echinococcus granulosus	peroxisome assembly protein 26	0.0056	0.087	0.1937
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0043	0.043	0.1308
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0056	0.087	0.1937
Echinococcus granulosus	hexokinase	0.0164	0.4494	1
Echinococcus granulosus	hexokinase	0.0164	0.4494	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0296	0.066
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0327	1	1
Plasmodium vivax	hexokinase, putative	0.0164	0.4494	0.4494
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0056	0.087	0.2648
Plasmodium vivax	tubulin alpha chain, putative	0.0056	0.087	0.087
Loa Loa (eye worm)	hexokinase	0.0051	0.069	0.1535
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0327	1	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0128	0.3287	1
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0128	0.3287	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0056	0.087	0.2648
Trichomonas vaginalis	tubulin beta chain, putative	0.0056	0.087	0.2648
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0056	0.087	0.1937
Leishmania major	dihydroorotate dehydrogenase	0.0327	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0056	0.087	0.1937
Echinococcus granulosus	tubulin alpha 3 chain	0.0056	0.087	0.1937
Echinococcus multilocularis	tubulin subunit TubB	0.0056	0.087	0.1937
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0737	0.164
Leishmania major	hexokinase, putative	0.0164	0.4494	0.4494
Echinococcus multilocularis	peroxisome assembly protein 26	0.0056	0.087	0.1937
Toxoplasma gondii	alpha tubulin TUBA1	0.0056	0.087	0.087
Echinococcus multilocularis	tubulin alpha 3 chain	0.0056	0.087	0.1937
Loa Loa (eye worm)	alpha-tubulin	0.0056	0.087	0.1937
Entamoeba histolytica	tubulin alpha-1 chain	0.0056	0.087	0.1937
Echinococcus granulosus	tubulin alpha chain	0.0056	0.087	0.1937
Echinococcus granulosus	tubulin alpha chain	0.0056	0.087	0.1937
Echinococcus multilocularis	tubulin alpha chain	0.0056	0.087	0.1937
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Trichomonas vaginalis	tubulin beta chain, putative	0.0056	0.087	0.2648
Schistosoma mansoni	alpha tubulin	0.0056	0.087	0.087
Echinococcus granulosus	tubulin alpha 1C chain	0.0056	0.087	0.1937
Echinococcus multilocularis	hexokinase	0.0164	0.4494	1
Loa Loa (eye worm)	hexokinase type II	0.0164	0.4494	1
Echinococcus multilocularis	hypothetical protein	0.0056	0.087	0.1937
Echinococcus multilocularis	tubulin alpha chain	0.0056	0.087	0.1937
Trypanosoma brucei	alpha tubulin	0.0056	0.087	0.087
Brugia malayi	Hexokinase family protein	0.0051	0.069	0.069
Brugia malayi	Zinc finger, C2H2 type family protein	0.0128	0.3287	0.3287
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0128	0.3287	1
Loa Loa (eye worm)	tubulin alpha chain	0.0056	0.087	0.1937
Trypanosoma brucei	hexokinase	0.0164	0.4494	0.4494
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0056	0.087	0.1937
Trichomonas vaginalis	tubulin beta chain, putative	0.0056	0.087	0.2648
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Echinococcus multilocularis	tubulin alpha 3 chain	0.0056	0.087	0.1937
Onchocerca volvulus		0.0164	0.4494	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0056	0.087	0.1937
Echinococcus multilocularis	tubulin alpha 1C chain	0.0056	0.087	0.1937
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0128	0.3287	0.7314
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0327	1	1
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0327	1	0.5
Leishmania major	hexokinase, putative	0.0164	0.4494	0.4494
Loa Loa (eye worm)	tubulin alpha 2	0.0043	0.043	0.0957
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0043	0.043	0.0957
Schistosoma mansoni	alpha tubulin	0.0056	0.087	0.087
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0327	1	1
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0128	0.3287	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0056	0.087	0.2648
Schistosoma mansoni	hexokinase	0.0164	0.4494	0.4494
Echinococcus granulosus	hexokinase type 2	0.0164	0.4494	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0128	0.3287	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.043	0.0957
Brugia malayi	Tubulin alpha-2 chain	0.0056	0.087	0.087
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0128	0.3287	0.7314
Echinococcus granulosus	tubulin alpha chain	0.0056	0.087	0.1937
Trypanosoma brucei	alpha tubulin	0.0056	0.087	0.087
Schistosoma mansoni	alpha tubulin	0.0056	0.087	0.087
Brugia malayi	Hexokinase family protein	0.0164	0.4494	0.4494
Loa Loa (eye worm)	tubulin alpha 2	0.0043	0.043	0.0957
Trichomonas vaginalis	tubulin beta chain, putative	0.0056	0.087	0.2648
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0327	1	0.5
Loa Loa (eye worm)	tubulin alpha chain	0.0056	0.087	0.1937
Brugia malayi	Hexokinase family protein	0.0103	0.2441	0.2441
Trypanosoma brucei	hexokinase, putative	0.0164	0.4494	0.4494
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0327	1	1
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0128	0.3287	1
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0327	1	1
Treponema pallidum	hexokinase (hxk)	0.0164	0.4494	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2742	0.6103
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0327	1	1
Brugia malayi	hexokinase type II	0.0052	0.0737	0.0737
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0128	0.3287	0.7314
Trypanosoma brucei	alpha tubulin	0.0056	0.087	0.087
Brugia malayi	tubulin alpha chain - mouse	0.0056	0.087	0.087
Loa Loa (eye worm)	hypothetical protein	0.0056	0.087	0.1937
Trypanosoma cruzi	alpha tubulin, putative	0.0056	0.087	0.087
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0128	0.3287	0.7314
Echinococcus granulosus	tubulin alpha 1C chain	0.0056	0.087	0.1937
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Toxoplasma gondii	hexokinase	0.0164	0.4494	0.4494
Echinococcus multilocularis	hexokinase	0.0164	0.4494	1
Leishmania major	alpha tubulin	0.0056	0.087	0.087
Plasmodium falciparum	alpha tubulin 1	0.0056	0.087	0.087

Activities

Activity type	Activity value	Assay description	Source	Reference
Delta blood pressure (functional)	NA 0 mmHg	Delta BP refers to oral hypotensive activity of compound which is evaluated at 4 hr and 24 hr in restrained, normotensive conscious rats at a dose of 50 mg/kg	ChEMBL.	6123600

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

No external resources registered for this compound

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 284988