TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 270.755 | Formula: C13H19ClN2O2
H donors: 2 H acceptors: 1 LogP: 1.99 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COCCCc1cccc(c1)NC(=O)NCCCl
InChi: 1S/C13H19ClN2O2/c1-18-9-3-5-11-4-2-6-12(10-11)16-13(17)15-8-7-14/h2,4,6,10H,3,5,7-9H2,1H3,(H2,15,16,17)
InChiKey: ILSWKUWDFYASSZ-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
Brugia malayi	nuclear hormone receptor	0.0017	0.0952	0.0952
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0037	0.261	0.261
Loa Loa (eye worm)	hypothetical protein	0.0037	0.261	0.261
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.1174	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0037	0.261	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0037	0.261	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0017	0.0952	0.0952
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0037	0.261	0.261
Brugia malayi	conserved hypotetical protein	0.0017	0.0952	0.0952
Echinococcus granulosus	ecdysone induced protein 78C	0.0037	0.261	1
Brugia malayi	nuclear receptor RXR	0.0017	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Echinococcus granulosus	nuclear receptor nhr 48	0.0017	0.0952	0.3152
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0037	0.261	1
Schistosoma mansoni	nuclear hormone receptor	0.0017	0.0952	0.3648
Trichomonas vaginalis	flap endonuclease-1, putative	0.0027	0.1768	1
Echinococcus multilocularis	flap endonuclease 1	0.0027	0.1768	0.6523
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0017	0.0952	0.3648
Schistosoma mansoni	coup transcription factor	0.0037	0.261	1
Trypanosoma brucei	unspecified product	0.0014	0.0645	0.365
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0037	0.261	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0037	0.261	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0017	0.0952	0.0952
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0037	0.261	0.261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0037	0.261	0.261
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0017	0.0952	0.3152
Loa Loa (eye worm)	hypothetical protein	0.0019	0.113	0.113
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.1174	0.6637
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0037	0.261	1
Brugia malayi	ecdysone receptor	0.0017	0.0952	0.0952
Schistosoma mansoni	zinc finger protein	0.0017	0.0952	0.3648
Brugia malayi	Nuclear hormone receptor-like 1	0.0037	0.261	0.261
Giardia lamblia	DINP protein human, muc B family	0.002	0.1174	0.6637
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0037	0.261	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Loa Loa (eye worm)	steroid hormone receptor	0.0037	0.261	0.261
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.1174	0.1174
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0037	0.261	1
Leishmania major	DNA polymerase eta, putative	0.002	0.1174	0.6637
Brugia malayi	Flap endonuclease-1	0.0027	0.1768	0.1768
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0037	0.261	0.261
Brugia malayi	Steroid receptor seven-up type 2	0.0037	0.261	0.261
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0027	0.1768	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0037	0.261	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.261	0.261
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0019	0.113	0.3885
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0037	0.261	0.261
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0645	0.365
Brugia malayi	nuclear receptor RXR	0.0019	0.113	0.113
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0037	0.261	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.1174	0.5
Brugia malayi	hypothetical protein	0.0017	0.0952	0.0952
Echinococcus multilocularis	nuclear receptor nhr 48	0.0017	0.0952	0.3152
Schistosoma mansoni	flap endonuclease-1	0.0024	0.1548	0.593
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0019	0.113	0.4328
Brugia malayi	MH1 domain containing protein	0.0008	0.0189	0.0189
Echinococcus granulosus	FTZ F1 alpha	0.0037	0.261	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Brugia malayi	MH2 domain containing protein	0.0008	0.0189	0.0189
Brugia malayi	nuclear receptor NHR-88	0.0017	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0037	0.261	0.261
Echinococcus multilocularis	dna polymerase kappa	0.002	0.1174	0.4067
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0037	0.261	0.261
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0017	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0019	0.113	0.113
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Loa Loa (eye worm)	hypothetical protein	0.0019	0.113	0.113
Echinococcus granulosus	dna polymerase kappa	0.002	0.1174	0.4067
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0037	0.261	0.261
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Schistosoma mansoni	DNA polymerase eta	0.002	0.1174	0.4497
Loa Loa (eye worm)	hypothetical protein	0.0037	0.261	0.261
Loa Loa (eye worm)	DR-78	0.0017	0.0952	0.0952
Schistosoma mansoni	nuclear hormone receptor	0.0017	0.0952	0.3648
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0037	0.261	0.261
Loa Loa (eye worm)	nuclear hormone receptor	0.0017	0.0952	0.0952
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0017	0.0952	0.3152
Brugia malayi	Nuclear hormone receptor-like 1	0.0019	0.113	0.113
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0027	0.1768	1
Plasmodium falciparum	flap endonuclease 1	0.0027	0.1768	1
Onchocerca volvulus		0.0037	0.261	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0017	0.0952	0.3152
Brugia malayi	steroid hormone receptor	0.0037	0.261	0.261
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0037	0.261	0.261
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0037	0.261	1
Brugia malayi	hypothetical protein	0.0019	0.113	0.113
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0037	0.261	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0037	0.261	0.261
Echinococcus granulosus	dna polymerase eta	0.002	0.1174	0.4067
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0037	0.261	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0037	0.261	1
Schistosoma mansoni	thyroid hormone receptor	0.0037	0.261	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Echinococcus multilocularis	dna polymerase eta	0.002	0.1174	0.4067
Brugia malayi	ecdysteroid receptor	0.0037	0.261	0.261
Loa Loa (eye worm)	flap endonuclease-1	0.0027	0.1768	0.1768
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.1174	0.6637
Entamoeba histolytica	Flap nuclease, putative	0.0027	0.1768	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0037	0.261	0.261
Schistosoma mansoni	nuclear receptor	0.0017	0.0952	0.3648
Brugia malayi	Nuclear hormone receptor E75	0.0017	0.0952	0.0952
Brugia malayi	nuclear hormone receptor	0.0037	0.261	0.261
Giardia lamblia	Flap structure-specific endonuclease	0.0027	0.1768	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0019	0.113	0.113
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0037	0.261	0.261
Loa Loa (eye worm)	Smad1	0.0008	0.0189	0.0189
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0037	0.261	0.261
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0037	0.261	1
Schistosoma mansoni	smad	0.0008	0.0189	0.0725
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0037	0.261	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.261	0.261
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0017	0.0952	0.3152
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.1174	0.6637
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Schistosoma mansoni	thyroid hormone receptor	0.0037	0.261	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.1174	0.6637
Brugia malayi	photoreceptor-specific nuclear receptor	0.0037	0.261	0.261
Leishmania major	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Echinococcus multilocularis	ecdysone induced protein 78C	0.0037	0.261	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Echinococcus multilocularis	FTZ F1 alpha	0.0037	0.261	1
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0027	0.1768	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0037	0.261	0.261
Schistosoma mansoni	nuclear receptor nhr-48	0.0017	0.0952	0.3648
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.1174	0.4497
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0189	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0037	0.261	0.261
Trypanosoma brucei	unspecified product	0.0014	0.0645	0.365
Trypanosoma cruzi	DNA polymerase eta, putative	0.002	0.1174	0.6637
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0037	0.261	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0017	0.0952	0.3152
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0037	0.261	0.261
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0037	0.261	0.261
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0017	0.0952	0.3152
Echinococcus granulosus	flap endonuclease 1	0.0027	0.1768	0.6523
Loa Loa (eye worm)	hypothetical protein	0.0019	0.113	0.113
Brugia malayi	Nuclear hormone receptor E75	0.0017	0.0952	0.0952
Brugia malayi	nuclear hormone receptor family member odr-7	0.0017	0.0952	0.0952
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.1174	0.4067
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0645	0.365
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0037	0.261	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.1174	0.4497
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0037	0.261	1
Brugia malayi	hypothetical protein	0.0019	0.113	0.113
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Brugia malayi	nuclear receptor NHR-67	0.0017	0.0952	0.0952
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	1	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.1174	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0037	0.261	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.1174	0.1174
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0019	0.113	0.4328
Onchocerca volvulus	Bile acid receptor homolog	0.0037	0.261	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0189	0.0725
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.1174	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0645	0.365
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0027	0.1768	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0037	0.261	0.261
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0017	0.0952	0.3152
Brugia malayi	Nuclear hormone receptor-like 1	0.0019	0.113	0.113
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0017	0.0952	0.0952
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0037	0.261	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0037	0.261	0.261
Brugia malayi	nuclear receptor NHR-88	0.0037	0.261	0.261
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.1174	0.1174
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0037	0.261	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0037	0.261	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0037	0.261	0.261
Brugia malayi	MH2 domain containing protein	0.0008	0.0189	0.0189
Trypanosoma brucei	unspecified product	0.002	0.1174	0.6637
Schistosoma mansoni	Smad4	0.0008	0.0189	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0952	0.0952
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0017	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0037	0.261	0.261
Brugia malayi	MH1 domain containing protein	0.0008	0.0189	0.0189
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0189	0.0189
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0189	0.0725
Brugia malayi	hypothetical protein	0.0017	0.0952	0.0952
Onchocerca volvulus	Protein ultraspiracle homolog	0.0037	0.261	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0017	0.0952	0.3648
Schistosoma mansoni	nuclear receptor	0.0017	0.0952	0.3648
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0017	0.0952	0.3152
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.1174	0.6637
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0019	0.113	0.3885
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.1174	0.4067
Brugia malayi	Smad1	0.0008	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0019	0.113	0.113
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0037	0.261	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0189	0.0725
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0017	0.0952	0.3152
Schistosoma mansoni	nuclear hormone receptor	0.0037	0.261	1
Plasmodium vivax	flap endonuclease 1, putative	0.0027	0.1768	1
Brugia malayi	tailless protein	0.0017	0.0952	0.0952
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.1174	0.6637
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.1174	0.1174
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0017	0.0952	0.3152
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0037	0.261	0.261

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 4 uM	Growth inhibition of HT29 cells after 48 hrs	ChEMBL.	17118664
GI50 (functional)	= 4 uM	Growth inhibition of HT29 cells after 48 hrs	ChEMBL.	17118664
GI50 (functional)	= 5 uM	Growth inhibition of M21 cells after 48 hrs	ChEMBL.	17118664
GI50 (functional)	= 5 uM	Growth inhibition of M21 cells after 48 hrs	ChEMBL.	17118664
GI50 (functional)	> 10 uM	Growth inhibition of MCF7 cells after 48 hrs	ChEMBL.	17118664
GI50 (functional)	> 10 uM	Growth inhibition of MCF7 cells after 48 hrs	ChEMBL.	17118664

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 425457