TDR Targets

Basic information

Technical information

TDR Targets ID: 255370
Name: 4-[2-[1-[5-chloro-2-(2-methylpiperidin-1-yl)p henyl]ethylamino]-2-oxoethyl]benzoic acid
MW: 414.925 | Formula: C23H27ClN2O3
H donors: 2 H acceptors: 3 LogP: 4.59 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(c1cc(Cl)ccc1N1CCCCC1C)C)Cc1ccc(cc1)C(=O)O
InChi: 1S/C23H27ClN2O3/c1-15-5-3-4-12-26(15)21-11-10-19(24)14-20(21)16(2)25-22(27)13-17-6-8-18(9-7-17)23(28)29/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,25,27)(H,28,29)
InChiKey: XVUOZRSARADKPL-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

4-[2-[1-[5-chloro-2-(2-methyl-1-piperidyl)phenyl]ethylamino]-2-oxo-ethyl]benzoic acid
4-[2-[1-[5-chloro-2-(2-methyl-1-piperidinyl)phenyl]ethylamino]-2-oxoethyl]benzoic acid
4-[2-[1-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]ethylamino]-2-oxo-ethyl]benzoic acid
4-[2-[1-[5-chloro-2-(2-methylpiperidino)phenyl]ethylamino]-2-keto-ethyl]benzoic acid
4-[2-[1-[5-chloro-2-(2-methyl-1-piperidyl)phenyl]ethylamino]-2-keto-ethyl]benzoic acid

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
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.1352	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0343	0.814	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0732	0.0718
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0343	0.814	0.8137
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0162	0.3754	0.3745
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0162	0.3754	0.3745
Schistosoma mansoni	nuclear hormone receptor	0.0343	0.814	0.8137
Loa Loa (eye worm)	hypothetical protein	0.0181	0.4224	0.5154
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0343	0.814	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0181	0.4224	0.4215
Brugia malayi	nuclear hormone receptor	0.0162	0.3754	0.4575
Brugia malayi	CXXC zinc finger family protein	0.003	0.0552	0.0613
Loa Loa (eye worm)	steroid hormone receptor	0.0343	0.814	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0162	0.3754	0.3745
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0343	0.814	0.8137
Loa Loa (eye worm)	hypothetical protein	0.0343	0.814	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0343	0.814	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0162	0.3754	0.3745
Echinococcus granulosus	cpg binding protein	0.0031	0.0593	0.0578
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0343	0.814	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0343	0.814	0.8137
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0343	0.814	0.8137
Brugia malayi	hypothetical protein	0.0162	0.3754	0.4575
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0162	0.3754	0.4573
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0343	0.814	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0181	0.4224	0.4215
Entamoeba histolytica	hypothetical protein	0.0037	0.0732	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0343	0.814	1
Brugia malayi	Nuclear hormone receptor E75	0.0162	0.3754	0.4575
Onchocerca volvulus	Bile acid receptor homolog	0.0343	0.814	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0343	0.814	0.8137
Schistosoma mansoni	cpg binding protein	0.0031	0.0593	0.0578
Brugia malayi	tailless protein	0.0162	0.3754	0.4575
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0343	0.814	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0162	0.3754	0.4573
Brugia malayi	nuclear hormone receptor family member odr-7	0.0162	0.3754	0.4575
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0162	0.3754	0.3745
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0162	0.3754	0.3745
Brugia malayi	hypothetical protein	0.0162	0.3754	0.4575
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0343	0.814	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0343	0.814	0.8137
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0162	0.3754	0.422
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0343	0.814	1
Brugia malayi	ecdysone receptor	0.0162	0.3754	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0181	0.4224	0.5154
Echinococcus granulosus	nuclear receptor nhr 48	0.0162	0.3754	0.3745
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0343	0.814	0.8137
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0343	0.814	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0343	0.814	0.8137
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.1347	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0181	0.4224	0.4215
Loa Loa (eye worm)	hypothetical protein	0.0343	0.814	1
Schistosoma mansoni	nuclear receptor	0.0162	0.3754	0.3745
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Loa Loa (eye worm)	DR-78	0.0162	0.3754	0.4573
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0343	0.814	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1347	0.1333
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0343	0.814	0.8137
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Brugia malayi	Nuclear hormone receptor E75	0.0162	0.3754	0.4575
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0	0.5
Brugia malayi	steroid hormone receptor	0.0343	0.814	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0343	0.814	0.8137
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0162	0.3754	0.3745
Schistosoma mansoni	coup transcription factor	0.0343	0.814	0.8137
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0343	0.814	0.8137
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0044
Brugia malayi	Nuclear hormone receptor-like 1	0.0343	0.814	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0732	0.0718
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0181	0.4224	0.4215
Loa Loa (eye worm)	hypothetical protein	0.0181	0.4224	0.5154
Schistosoma mansoni	thyroid hormone receptor	0.0343	0.814	0.8137
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.1347	0.1333
Trichomonas vaginalis	helicase, putative	0.0007	0	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1347	0.1333
Schistosoma mansoni	retinoic acid receptor RXR	0.0343	0.814	0.8137
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0343	0.814	1
Brugia malayi	nuclear hormone receptor	0.0343	0.814	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0343	0.814	0.8137
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0732	0.0718
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0343	0.814	0.8137
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1347	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0343	0.814	0.8137
Echinococcus multilocularis	cpg binding protein	0.0031	0.0593	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Schistosoma mansoni	nuclear hormone receptor	0.0162	0.3754	0.3745
Onchocerca volvulus	Protein ultraspiracle homolog	0.0343	0.814	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0343	0.814	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.1347	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0343	0.814	0.8137
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1347	0.5
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0162	0.3754	0.422
Schistosoma mansoni	RAR-like nuclear receptor	0.0343	0.814	0.8137
Loa Loa (eye worm)	hypothetical protein	0.0343	0.814	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0343	0.814	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1347	0.5
Schistosoma mansoni	cpg binding protein	0.003	0.0552	0.0537
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0343	0.814	1
Schistosoma mansoni	thyroid hormone receptor	0.0343	0.814	0.8137
Brugia malayi	nuclear receptor NHR-67	0.0162	0.3754	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0162	0.3754	0.4575
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0162	0.3754	0.3745
Brugia malayi	hypothetical protein	0.0037	0.0732	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Onchocerca volvulus		0.0343	0.814	1
Schistosoma mansoni	hypothetical protein	0.042	1	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.4224	0.5154
Brugia malayi	conserved hypotetical protein	0.0162	0.3754	0.4575
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0343	0.814	0.8137
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0162	0.3754	0.3745
Brugia malayi	nuclear receptor RXR	0.0162	0.3754	0.4575
Brugia malayi	ecdysteroid receptor	0.0343	0.814	1
Brugia malayi	Steroid receptor seven-up type 2	0.0343	0.814	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0162	0.3754	0.3745
Onchocerca volvulus		0.0162	0.3754	0.422
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0162	0.3754	0.3745
Echinococcus multilocularis	dnaJ subfamily B	0.042	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0044
Schistosoma mansoni	nuclear hormone receptor	0.0162	0.3754	0.3745
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0162	0.3754	0.4575
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0343	0.814	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Echinococcus multilocularis	ecdysone induced protein 78C	0.0343	0.814	0.8137
Brugia malayi	hypothetical protein	0.0181	0.4224	0.5156
Echinococcus granulosus	FTZ F1 alpha	0.0343	0.814	0.8137
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0343	0.814	0.8137
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0343	0.814	0.8137
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0162	0.3754	0.3745
Brugia malayi	nuclear receptor RXR	0.0181	0.4224	0.5156
Schistosoma mansoni	hypothetical protein	0.0037	0.0732	0.0718
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0343	0.814	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0181	0.4224	0.5156
Echinococcus multilocularis	FTZ F1 alpha	0.0343	0.814	0.8137
Loa Loa (eye worm)	hypothetical protein	0.0343	0.814	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0162	0.3754	0.3745
Schistosoma mansoni	nuclear receptor	0.0162	0.3754	0.3745
Brugia malayi	nuclear receptor NHR-88	0.0343	0.814	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0343	0.814	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0552	0.061
Echinococcus multilocularis	nuclear receptor nhr 48	0.0162	0.3754	0.3745
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0343	0.814	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0732	0.5
Onchocerca volvulus		0.0162	0.3754	0.422
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.1347	0.1333
Schistosoma mansoni	cpg binding protein	0.0031	0.0593	0.0578
Brugia malayi	hypothetical protein	0.0181	0.4224	0.5156
Brugia malayi	nuclear receptor NHR-88	0.0162	0.3754	0.4575
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0343	0.814	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0343	0.814	0.8137
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Loa Loa (eye worm)	hypothetical protein	0.0181	0.4224	0.5154
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0162	0.3754	0.4573
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0181	0.4224	0.5154
Brugia malayi	orphan nuclear receptor NR2E1	0.0162	0.3754	0.4575
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.1347	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0343	0.814	0.8137
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0	0.5
Entamoeba histolytica	hypothetical protein	0.0037	0.0732	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0181	0.4224	0.5156
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0343	0.814	1
Loa Loa (eye worm)	hypothetical protein	0.0343	0.814	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0343	0.814	0.8137
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0343	0.814	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0343	0.814	0.8137
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3754	0.4573
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0343	0.814	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0732	0.5
Schistosoma mansoni	zinc finger protein	0.0162	0.3754	0.3745
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0343	0.814	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0343	0.814	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Delta BG (functional)	= -14 %	Maximum % decrease of blood glucose (deltaBG) was observed within 4 hour after administration orally at 10 mg/kg dose to fasted adult female rats versus a control group	ChEMBL.	9857091

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

PubChem: 11796108

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 255370