TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 346.462 | Formula: C24H26O2
H donors: 1 H acceptors: 2 LogP: 6.83 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCCCCCc1ccc(cc1)Cc1ccc2c(c1)cccc2
InChi: 1S/C24H26O2/c25-24(26)10-4-2-1-3-7-19-11-13-20(14-12-19)17-21-15-16-22-8-5-6-9-23(22)18-21/h5-6,8-9,11-16,18H,1-4,7,10,17H2,(H,25,26)
InChiKey: TUWYKNMAZNNAGF-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	snurportin 1	0.0336	0.0287	0.4219
Loa Loa (eye worm)	hypothetical protein	0.0489	0.0428	0.0423
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0066	0.0038	0.185
Schistosoma mansoni	organic anion transporter	0.0717	0.0638	0.9492
Plasmodium vivax	glutathione reductase, putative	0.0052	0.0024	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0023	0.0256
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0066	0.0038	0.0482
Brugia malayi	glutathione reductase	0.0052	0.0024	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0717	0.0638	0.0633
Loa Loa (eye worm)	glutathione reductase	0.0052	0.0024	0.0019
Toxoplasma gondii	transporter, major facilitator family protein	0.0717	0.0638	1
Mycobacterium tuberculosis	Probable reductase	0.0118	0.0085	0.8342
Brugia malayi	hypothetical protein	0.0717	0.0638	0.0633
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0105	0.0074	0.1022
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0023	0.0256
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0105	0.0074	0.1022
Schistosoma mansoni	agrin	0.0489	0.0428	0.6343
Trypanosoma brucei	trypanothione reductase	0.0052	0.0024	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0074	0.0068
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0489	0.0428	0.0423
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.0038	0.0482
Brugia malayi	sodium-independent organic anion transporter family protein	0.0717	0.0638	0.0633
Trichomonas vaginalis	importin beta-1, putative	0.0026	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0023	0.0256
Echinococcus granulosus	agrin	0.0489	0.0428	0.6343
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0717	0.0638	0.9492
Brugia malayi	RNA, U transporter 1	0.0089	0.0059	0.0054
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0717	0.0638	0.9492
Brugia malayi	hypothetical protein	0.0717	0.0638	0.0633
Echinococcus granulosus	follistatin	0.0489	0.0428	0.6343
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0038	0.5
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0489	0.0428	0.0423
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0118	0.0085	0.8342
Onchocerca volvulus	Putative organic anion transporter	1.0851	1	1
Loa Loa (eye worm)	agrin synaptic family protein	0.0489	0.0428	0.0423
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0023	0.0017
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0336	0.0287	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0489	0.0428	0.0423
Onchocerca volvulus	Putative organic anion transporter	0.0717	0.0638	0.0219
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0489	0.0428	0.0423
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0717	0.0638	0.9492
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0118	0.0085	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0717	0.0638	0.0633
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0023	0.0256
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0118	0.0085	0.8342
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0	0.5
Echinococcus granulosus	snurportin 1	0.0336	0.0287	0.4219
Toxoplasma gondii	thioredoxin reductase	0.0052	0.0024	0.0294
Brugia malayi	SPARC precursor	0.0489	0.0428	0.0423
Mycobacterium tuberculosis	Probable oxidoreductase	0.0131	0.0097	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0131	0.0097	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0118	0.0085	0.8342
Schistosoma mansoni	organic anion transporter	0.0717	0.0638	0.9492
Onchocerca volvulus		0.0717	0.0638	0.0219
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0066	0.0038	1
Entamoeba histolytica	hypothetical protein	0.0026	0	0.5
Echinococcus multilocularis	follistatin	0.0489	0.0428	0.6343
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0105	0.0074	0.1022
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0489	0.0428	0.6682
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0023	0.0256
Brugia malayi	secreted modular calcium-binding protein 1	0.0489	0.0428	0.0423
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0038	0.5
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0489	0.0428	0.6682
Plasmodium vivax	thioredoxin reductase, putative	0.0052	0.0024	1
Loa Loa (eye worm)	hypothetical protein	0.0717	0.0638	0.0633
Leishmania major	trypanothione reductase	0.0052	0.0024	0.6402
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0717	0.0638	0.0633
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0489	0.0428	0.6682
Onchocerca volvulus	Putative organic anion transporter	0.0717	0.0638	0.0219
Echinococcus granulosus	thioredoxin glutathione reductase	0.0052	0.0024	0.0279
Brugia malayi	Thioredoxin reductase	0.0052	0.0024	0.0019
Onchocerca volvulus		0.0717	0.0638	0.0219
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0038	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0023	0.0256
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0717	0.0638	0.9492
Brugia malayi	sodium-independent organic anion transporter family protein	0.0717	0.0638	0.0633
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0489	0.0428	0.6682
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0066	0.0038	0.0482
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0489	0.0428	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0074	0.0068
Plasmodium falciparum	glutathione reductase	0.0052	0.0024	1
Onchocerca volvulus		0.0717	0.0638	0.0219
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0105	0.0074	0.1022
Echinococcus multilocularis	agrin	0.0489	0.0428	0.6343
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0023	0.0256
Schistosoma mansoni	microtubule-associated protein tau	0.0753	0.0672	1
Loa Loa (eye worm)	hypothetical protein	0.0717	0.0638	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0489	0.0428	0.0423
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0052	0.0024	0.0279
Trypanosoma cruzi	MFS transporter, putative	0.0717	0.0638	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.0038	0.0482
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0118	0.0085	0.8342
Schistosoma mansoni	hypothetical protein	0.0336	0.0287	0.4219
Loa Loa (eye worm)	thioredoxin reductase	0.0052	0.0024	0.0019
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0489	0.0428	0.0423
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0131	0.0097	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0066	0.0038	0.0508
Plasmodium falciparum	thioredoxin reductase	0.0052	0.0024	1
Echinococcus multilocularis	microtubule associated protein 2	0.0753	0.0672	1
Schistosoma mansoni	follistatin	0.0489	0.0428	0.6343
Loa Loa (eye worm)	hypothetical protein	0.0489	0.0428	0.0423
Brugia malayi	sodium-independent organic anion transporter family protein	0.0717	0.0638	0.0633
Onchocerca volvulus		0.0717	0.0638	0.0219
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0023	0.0017
Toxoplasma gondii	protease inhibitor PI2	0.0489	0.0428	0.6682
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0	0.5
Onchocerca volvulus		0.0717	0.0638	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0717	0.0638	0.0633
Trypanosoma cruzi	trypanothione reductase, putative	0.0052	0.0024	0.0378
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0105	0.0074	0.1022
Echinococcus granulosus	microtubule associated protein 2	0.0753	0.0672	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0131	0.0097	1
Echinococcus multilocularis	expressed protein	0.0489	0.0428	0.6343
Loa Loa (eye worm)	hypothetical protein	0.0717	0.0638	0.0633
Loa Loa (eye worm)	hypothetical protein	1.0851	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 22 %	Inhibition of LTB4 biosynthesis by porcine leukocytes at LTA4 hydrolase level at a concentration of 2*10e-5 M	ChEMBL.	1324315

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 178628