TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 523.214 | Formula: C22H21Br2NO4
H donors: 0 H acceptors: 2 LogP: 5.68 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: CCOc1cc(ccc1OCCc1ccc(cn1)CC)/C=C/1\OC(=O)C(=C1Br)Br
InChi: 1S/C22H21Br2NO4/c1-3-14-5-7-16(25-13-14)9-10-28-17-8-6-15(11-18(17)27-4-2)12-19-20(23)21(24)22(26)29-19/h5-8,11-13H,3-4,9-10H2,1-2H3/b19-12-
InChiKey: LZGWJKGHJBSCEQ-UNOMPAQXSA-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	0.0346	0.0534	0.0508
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0346	0.0534	0.5
Schistosoma mansoni	calcium-activated potassium channel	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0346	0.0534	0.0534
Mycobacterium ulcerans	ion transport protein	0.0346	0.0534	0.5
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0346	0.0534	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0346	0.0534	0.5
Onchocerca volvulus		0.0346	0.0534	0.5
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0346	0.0534	0.0534
Brugia malayi	hypothetical protein	0.0346	0.0534	0.0534
Echinococcus multilocularis	potassium channel subfamily K	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.575	1	1
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Trypanosoma cruzi	ion transport protein, putative	0.0346	0.0534	0.5
Loa Loa (eye worm)	TWK-7 protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Leishmania major	potassium channel subunit-like protein	0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.575	1	1
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0346	0.0534	0.0534
Echinococcus multilocularis	twik family of potassium channels	0.0346	0.0534	0.0534
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0346	0.0534	0.5
Echinococcus multilocularis	twik family of potassium channels	0.0346	0.0534	0.0534
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0346	0.0534	0.0534
Leishmania major	hypothetical protein, conserved	0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0346	0.0534	0.0534
Schistosoma mansoni	twik family of potassium channels-related	0.0346	0.0534	0.0534
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0346	0.0534	0.0534
Echinococcus granulosus	potassium channel subfamily K 8	0.0346	0.0534	0.0534
Onchocerca volvulus		0.0346	0.0534	0.5
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0346	0.0534	0.0534
Trypanosoma cruzi	ion transport protein, putative	0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	hypothetical protein	0.0346	0.0534	0.0534
Onchocerca volvulus		0.0346	0.0534	0.5
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.575	1	1
Plasmodium vivax	potassium channel, putative	0.0346	0.0534	0.5
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0346	0.0534	0.0508
Onchocerca volvulus		0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0346	0.0534	0.0534
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0346	0.0534	0.0534
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0346	0.0534	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0346	0.0534	0.0534
Echinococcus granulosus	small conductance calcium activated potassium	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0346	0.0534	0.0508
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0924	0.1546	0.1546
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0346	0.0534	0.5
Echinococcus multilocularis	potassium channel subfamily K 8	0.0346	0.0534	0.0534
Echinococcus multilocularis	potassium channel subfamily K 8	0.0346	0.0534	0.0534
Schistosoma mansoni	twik family of potassium channels-related	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Leishmania major	calcium/potassium channel (CAKC), putative	0.0346	0.0534	0.5
Plasmodium falciparum	potassium channel	0.0346	0.0534	0.5
Onchocerca volvulus		0.0346	0.0534	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Schistosoma mansoni	twik family of potassium channels-related	0.0346	0.0534	0.0534
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0346	0.0534	0.0534
Schistosoma mansoni	calcium-activated potassium channel	0.0346	0.0534	0.0534
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0346	0.0534	0.5
Echinococcus granulosus	twik family of potassium channels	0.0346	0.0534	0.0534
Leishmania major	hypothetical protein, conserved	0.0346	0.0534	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0346	0.0534	0.0534
Schistosoma mansoni	twik family of potassium channels-related	0.0346	0.0534	0.0534
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0346	0.0534	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0346	0.0534	0.0534
Schistosoma mansoni	twik family of potassium channels-related	0.0346	0.0534	0.0534
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0346	0.0534	0.5
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0346	0.0534	1
Onchocerca volvulus		0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Mycobacterium ulcerans	transmembrane cation transporter	0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Echinococcus granulosus	potassium channel subfamily K	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0346	0.0534	0.5
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0346	0.0534	0.0508
Schistosoma mansoni	calcium-activated potassium channel	0.0346	0.0534	0.0534
Toxoplasma gondii	ion channel protein	0.0346	0.0534	0.5
Echinococcus granulosus	potassium channel subfamily K 8	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Echinococcus granulosus	twik family of potassium channels	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Giardia lamblia	Hypothetical protein	0.0346	0.0534	0.5
Echinococcus multilocularis	calcium activated potassium channel variant	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0346	0.0534	0.0534
Onchocerca volvulus		0.0346	0.0534	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0346	0.0534	0.0534
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0346	0.0534	0.0534
Loa Loa (eye worm)	TWK-28 protein	0.0346	0.0534	0.0508
Trypanosoma cruzi	hypothetical protein, conserved	0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Echinococcus multilocularis	small conductance calcium activated potassium	0.0346	0.0534	0.0534
Plasmodium falciparum	potassium channel	0.0346	0.0534	0.5
Schistosoma mansoni	hypothetical protein	0.0346	0.0534	0.0534
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0346	0.0534	0.5
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.575	1	1
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0346	0.0534	0.5
Onchocerca volvulus		0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.5404	0.9394	0.9392
Schistosoma mansoni	twik family of potassium channels-related	0.0346	0.0534	0.0534
Leishmania major	ion transport protein-like protein	0.0346	0.0534	0.5
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Schistosoma mansoni	twik family of potassium channels-related	0.575	1	1
Plasmodium vivax	potassium channel, putative	0.0346	0.0534	0.5
Schistosoma mansoni	hypothetical protein	0.0346	0.0534	0.0534
Loa Loa (eye worm)	uncoordinated protein 58	0.0346	0.0534	0.0508
Toxoplasma gondii	ion channel protein	0.0346	0.0534	0.5
Echinococcus granulosus	calcium activated potassium channel variant	0.0346	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0346	0.0534	0.0508
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.0028	0.0028

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 2360.2 pg/ml	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced IL-6 release at 10 uM treated 2 hrs before LPS challenge measured after 24 hrs by ELISA (Rvb = 45.1 +/- 5.6 pg/ml)	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced IkappaBalpha phosphorylation at 10 uM after 4 hrs by Western blot analysis	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced NF-kappaB 65 phosphorylation at 10 uM after 4 hrs by Western blot analysis in presence of PPARgamma antagonist GW9662	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced JNK phosphorylation at 10 uM after 4 hrs by Western blot analysis	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced JNK phosphorylation at 10 uM after 4 hrs by Western blot analysis in presence of PPARgamma antagonist GW9662	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced p38 MAPK phosphorylation at 10 uM after 4 hrs by Western blot analysis	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced ERK1/2 phosphorylation at 10 uM after 4 hrs by Western blot analysis in presence of PPARgamma antagonist GW9662	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced NF-kappaB 65 phosphorylation at 10 uM after 4 hrs by Western blot analysis	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced p38 MAPK phosphorylation at 10 uM after 4 hrs by Western blot analysis in presence of PPARgamma antagonist GW9662	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced IkappaBalpha phosphorylation at 10 uM after 4 hrs by Western blot analysis in presence of PPARgamma antagonist GW9662	ChEMBL.	24333613
Inhibition (binding)		Inhibition of PPARgamma in mouse RAW264.7 cells assessed as inhibition of LPS-induced ERK1/2 phosphorylation at 10 uM after 4 hrs by Western blot analysis	ChEMBL.	24333613

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: CHEMBL3105582

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 1819489