TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.683 | Formula: C15H19Cl3N2O2
H donors: 2 H acceptors: 2 LogP: 3.81 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1)CCCCCCNC(=O)C(Cl)(Cl)Cl
InChi: 1S/C15H19Cl3N2O2/c16-15(17,18)14(22)19-11-7-2-1-6-10-13(21)20-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,22)(H,20,21)
InChiKey: CBRGSCMCWPERRT-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
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1124	0.1337
Onchocerca volvulus		0.0032	0.1124	0.6519
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0017	0.012	0.0143
Echinococcus multilocularis	musashi	0.0026	0.0747	0.0747
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0715	0.0851
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.1764	0.5
Onchocerca volvulus		0.0026	0.0747	0.4333
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0032	0.1124	0.1124
Echinococcus granulosus	chromobox protein 1	0.0068	0.352	0.352
Echinococcus multilocularis	dna polymerase kappa	0.0046	0.2044	0.2044
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0032	0.1124	0.1124
Schistosoma mansoni	nuclear hormone receptor	0.0032	0.1124	0.1124
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0032	0.1124	0.6519
Trypanosoma brucei	DNA polymerase IV, putative	0.0046	0.2044	1
Schistosoma mansoni	lamin	0.0026	0.0747	0.0747
Brugia malayi	acetyltransferase, GNAT family protein	0.0142	0.8408	1
Echinococcus granulosus	dna polymerase kappa	0.0046	0.2044	0.2044
Loa Loa (eye worm)	hypothetical protein	0.0017	0.012	0.0143
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0032	0.1124	0.1124
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0747	0.0747
Schistosoma mansoni	RAR-like nuclear receptor	0.0032	0.1124	0.1124
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.1124	0.1124
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0747	0.0889
Entamoeba histolytica	hypothetical protein	0.0076	0.4002	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0017	0.012	0.012
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0032	0.1124	0.1337
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0024	0.056	1
Schistosoma mansoni	thyroid hormone receptor	0.0032	0.1124	0.1124
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0016	0.007	0.007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0226	0.0792
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Brugia malayi	nuclear receptor RXR	0.0017	0.012	0.0143
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Brugia malayi	intermediate filament protein	0.0026	0.0747	0.0889
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0032	0.1124	0.1337
Echinococcus granulosus	chromobox protein 1	0.0068	0.352	0.352
Echinococcus multilocularis	dna polymerase eta	0.0016	0.007	0.007
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1532	0.2714
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1124	0.1337
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.1124	0.1124
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0032	0.1124	0.1124
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0032	0.1124	0.1124
Trypanosoma brucei	DNA polymerase IV, putative	0.0046	0.2044	1
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1532	0.2714
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0032	0.1124	0.1337
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.352	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.1124	0.1337
Echinococcus granulosus	lamin	0.0026	0.0747	0.0747
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.012	0.012
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.1124	0.1337
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.1764	0.3563
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0046	0.2044	0.4588
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0032	0.1124	0.1337
Echinococcus granulosus	intermediate filament protein	0.0026	0.0747	0.0747
Onchocerca volvulus		0.0026	0.0747	0.4333
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0032	0.1124	0.1124
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.1533	0.5
Brugia malayi	steroid hormone receptor	0.0032	0.1124	0.1337
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0017	0.012	0.012
Echinococcus granulosus	dna polymerase eta	0.0016	0.007	0.007
Brugia malayi	nuclear receptor NHR-88	0.0032	0.1124	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1124	0.1337
Echinococcus multilocularis	chromobox protein 1	0.0068	0.352	0.352
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.007	0.0084
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0032	0.1124	0.1124
Entamoeba histolytica	hypothetical protein	0.0076	0.4002	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.1124	0.1337
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0016	0.007	0.007
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.2044	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1532	0.1822
Brugia malayi	photoreceptor-specific nuclear receptor	0.0032	0.1124	0.1337
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0226	0.0792
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.4002	0.4002
Brugia malayi	hypothetical protein	0.0017	0.012	0.0143
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.007	0.0084
Schistosoma mansoni	thyroid hormone receptor	0.0032	0.1124	0.1124
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0032	0.1124	0.1124
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	0.8408	0.8408
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.1764	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0032	0.1124	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0017	0.012	0.0143
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0032	0.1124	0.1124
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1124	0.1337
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.1725	0.3419
Echinococcus multilocularis	FTZ F1 alpha	0.0032	0.1124	0.1124
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.1725	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.1303	0.6246
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0747	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1124	0.1337
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0032	0.1124	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1124	0.1337
Leishmania major	DNA polymerase kappa, putative	0.0024	0.056	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.1532	0.8883
Brugia malayi	hypothetical protein	0.0017	0.012	0.0143
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0032	0.1124	0.1337
Echinococcus granulosus	ecdysone induced protein 78C	0.0032	0.1124	0.1124
Trichomonas vaginalis	DNA polymerase eta, putative	0.0046	0.2044	0.4588
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.1303	0.6246
Trypanosoma brucei	unspecified product	0.0039	0.1554	0.7519
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0024	0.056	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.2044	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0747	0.0747
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.352	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.1533	0.3721
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.4002	0.4002
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.8144	0.8144
Schistosoma mansoni	DNA polymerase eta	0.0016	0.007	0.007
Echinococcus multilocularis	ecdysone induced protein 78C	0.0032	0.1124	0.1124
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.1124	0.1124
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	0.8408	0.8408
Schistosoma mansoni	retinoic acid receptor RXR	0.0032	0.1124	0.1124
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.1725	0.3419
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0032	0.1124	0.1124
Schistosoma mansoni	hypothetical protein	0.0076	0.4002	0.4002
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0032	0.1124	0.1124
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0017	0.012	0.012
Brugia malayi	Heterochromatin protein 1	0.0068	0.352	0.4187
Schistosoma mansoni	coup transcription factor	0.0032	0.1124	0.1124
Loa Loa (eye worm)	hypothetical protein	0.0017	0.012	0.0143
Brugia malayi	ecdysteroid receptor	0.0032	0.1124	0.1337
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.1554	0.7519
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.1124	0.1337
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.1124	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0016	0.007	0.0084
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0226	0.0792
Mycobacterium ulcerans	DNA polymerase IV	0.0046	0.2044	0.5
Brugia malayi	nuclear hormone receptor	0.0032	0.1124	0.1337
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0016	0.007	0.0084
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.2044	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0747	0.0889
Echinococcus granulosus	lamin dm0	0.0026	0.0747	0.0747
Echinococcus multilocularis	chromobox protein 1	0.0068	0.352	0.352
Loa Loa (eye worm)	acetyltransferase	0.0142	0.8408	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.1764	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0032	0.1124	0.1124
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0032	0.1124	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0017	0.012	0.0143
Entamoeba histolytica	hypothetical protein	0.0076	0.4002	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1303	0.155
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.1533	1
Entamoeba histolytica	hypothetical protein	0.0076	0.4002	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0032	0.1124	0.1337
Loa Loa (eye worm)	hypothetical protein	0.003	0.0984	0.1171
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.1764	0.1764
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0032	0.1124	0.1337
Echinococcus multilocularis	lamin	0.0026	0.0747	0.0747
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.1124	0.1337
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.2044	1
Loa Loa (eye worm)	steroid hormone receptor	0.0032	0.1124	0.1337
Brugia malayi	hypothetical protein	0.0076	0.4002	0.476
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0032	0.1124	0.1337
Echinococcus granulosus	FTZ F1 alpha	0.0032	0.1124	0.1124
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0016	0.007	0.007
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0032	0.1124	0.1337
Echinococcus multilocularis	geminin	0.0166	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.4002	0.4002
Brugia malayi	Nuclear hormone receptor-like 1	0.0032	0.1124	0.1337
Schistosoma mansoni	chromobox protein	0.0068	0.352	0.352
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0032	0.1124	0.1337
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.1764	0.3563
Schistosoma mansoni	chromobox protein	0.0068	0.352	0.352
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0032	0.1124	0.1124
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0747	0.0889
Trypanosoma brucei	DNA polymerase kappa, putative	0.0024	0.056	0.2481
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0032	0.1124	0.1124
Brugia malayi	chromobox protein homolog 3	0.0038	0.1532	0.1822
Onchocerca volvulus	Protein ultraspiracle homolog	0.0032	0.1124	0.6519
Loa Loa (eye worm)	hypothetical protein	0.0017	0.012	0.0143
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.012	0.0143
Brugia malayi	polk-prov protein	0.0035	0.1303	0.155
Mycobacterium ulcerans	DNA polymerase IV	0.0046	0.2044	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0016	0.007	0.007
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.012	0.0143
Onchocerca volvulus	Bile acid receptor homolog	0.0032	0.1124	0.6519
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0032	0.1124	0.1124
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.2044	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.1124	0.1124
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0032	0.1124	0.1124
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.352	0.4187
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0032	0.1124	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1124	0.1337
Onchocerca volvulus		0.003	0.0984	0.5707
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0032	0.1124	0.1124
Schistosoma mansoni	lamin	0.0026	0.0747	0.0747
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1124	0.1337
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0032	0.1124	0.1337

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract	ChEMBL.	14643318
IC50 (binding)	> 100 uM	In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract	ChEMBL.	14643318
Inhibition (binding)	= 4 %	In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract at a concentration of 100 uM	ChEMBL.	14643318
Inhibition (binding)	= 4 %	In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract at a concentration of 100 uM	ChEMBL.	14643318

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 236334