TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 357.486 | Formula: C22H31NO3
H donors: 0 H acceptors: 2 LogP: 6.14 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC/C=C\C/C=C\C=C\C=C\c1conc1CCCC(=O)OC
InChi: 1S/C22H31NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20-19-26-23-21(20)17-15-18-22(24)25-2/h7-8,10-14,16,19H,3-6,9,15,17-18H2,1-2H3/b8-7-,11-10-,13-12+,16-14+
InChiKey: ZRBZNYJRLIWALG-GDYIDAEQSA-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
Loa Loa (eye worm)	hypothetical protein	0.0814	0.397	0.3638
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0544	0.2175	0.1744
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0544	0.2175	0.4046
Echinococcus granulosus	peptidase Clp S14 family	0.0534	0.2104	0.3872
Plasmodium falciparum	ataxin-2 like protein, putative	0.0337	0.0794	0.1055
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0814	0.397	0.5
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0814	0.397	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0544	0.2175	0.4046
Brugia malayi	Probable ClpP-like protease	0.0814	0.397	0.397
Schistosoma mansoni	tar DNA-binding protein	0.091	0.4608	0.6977
Echinococcus granulosus	tar DNA binding protein	0.091	0.4608	1
Loa Loa (eye worm)	transcription factor SMAD2	0.1679	0.9723	0.9707
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0814	0.397	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0337	0.0794	0.1055
Loa Loa (eye worm)	hypothetical protein	0.1721	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.1176	0.6378	0.6378
Loa Loa (eye worm)	hypothetical protein	0.0337	0.0794	0.0287
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0534	0.2104	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0814	0.397	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0534	0.2104	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0337	0.0794	0.1055
Schistosoma mansoni	tar DNA-binding protein	0.091	0.4608	0.6977
Loa Loa (eye worm)	TAR-binding protein	0.091	0.4608	0.4311
Schistosoma mansoni	tar DNA-binding protein	0.091	0.4608	0.6977
Onchocerca volvulus		0.0794	0.3839	0.5
Schistosoma mansoni	hypothetical protein	0.0544	0.2175	0.2823
Brugia malayi	MH2 domain containing protein	0.1679	0.9723	0.9723
Brugia malayi	Latrophilin receptor protein 2	0.0544	0.2175	0.2175
Schistosoma mansoni	hypothetical protein	0.0544	0.2175	0.2823
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1721	1	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0534	0.2104	0.3872
Brugia malayi	TAR-binding protein	0.091	0.4608	0.4608
Loa Loa (eye worm)	hypothetical protein	0.1176	0.6378	0.6179
Brugia malayi	RNA recognition motif domain containing protein	0.091	0.4608	0.4608
Schistosoma mansoni	tar DNA-binding protein	0.091	0.4608	0.6977
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0814	0.397	0.8441
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0814	0.397	0.8441
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0544	0.2175	0.4046
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0814	0.397	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0814	0.397	0.5
Echinococcus multilocularis	tar DNA binding protein	0.091	0.4608	1
Schistosoma mansoni	tar DNA-binding protein	0.091	0.4608	0.6977
Trypanosoma cruzi	PAB1-binding protein , putative	0.0337	0.0794	0.5
Schistosoma mansoni	hypothetical protein	0.0544	0.2175	0.2823
Leishmania major	hypothetical protein, conserved	0.0337	0.0794	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.091	0.4608	0.4311
Brugia malayi	hypothetical protein	0.0794	0.3839	0.3839
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0814	0.397	0.5
Echinococcus granulosus	GPCR family 2	0.0544	0.2175	0.4046
Brugia malayi	RNA binding protein	0.091	0.4608	0.4608
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0534	0.2104	0.4744
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0814	0.397	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1721	1	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0814	0.397	1
Loa Loa (eye worm)	hypothetical protein	0.0794	0.3839	0.3499
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0544	0.2175	0.2175
Loa Loa (eye worm)	hypothetical protein	0.0544	0.2175	0.1744
Loa Loa (eye worm)	MH2 domain-containing protein	0.1679	0.9723	0.9707
Loa Loa (eye worm)	RNA binding protein	0.091	0.4608	0.4311
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0814	0.397	1
Brugia malayi	hypothetical protein	0.0337	0.0794	0.0794
Schistosoma mansoni	peptidase Clp (S14 family)	0.0814	0.397	0.5889
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0544	0.2175	0.4046
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0296	0.0522	0.0522
Echinococcus multilocularis	GPCR, family 2	0.0544	0.2175	0.4046
Plasmodium falciparum	ataxin-2 like protein, putative	0.0337	0.0794	0.1055
Trypanosoma cruzi	PAB1-binding protein , putative	0.0337	0.0794	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0337	0.0794	0.5
Schistosoma mansoni	hypothetical protein	0.0544	0.2175	0.2823
Schistosoma mansoni	hypothetical protein	0.1176	0.6378	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0814	0.397	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.000056 M	Compound was tested for inhibition of LTD4 induced contraction of guinea pig ileum	ChEMBL.	No reference

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

No literature references available for this target.

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Detailed information for compound 146055