TDR Targets

Basic information

Technical information

TDR Targets ID: 764932
Name: EU-0014818
MW: 415.893 | Formula: C20H18ClN3O3S
H donors: 3 H acceptors: 4 LogP: 5.17 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cc(ccc1Cl)NC(=O)c1sc2c(c1N)cc1c(n2)CCCCC1
InChi: 1S/C20H18ClN3O3S/c21-14-7-6-11(9-12(14)20(26)27)23-18(25)17-16(22)13-8-10-4-2-1-3-5-15(10)24-19(13)28-17/h6-9H,1-5,22H2,(H,23,25)(H,26,27)
InChiKey: JRZBXSNCJQMFOH-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

Oprea1_842116

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
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.4644	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0042	0.0362	0.0123
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.029	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.1539	0.3305
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0096	0.3186
Echinococcus multilocularis	lamin dm0	0.0087	0.103	0.0807
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.029	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.029	0.0611
Mycobacterium tuberculosis	Conserved protein	0.0037	0.029	0.0872
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.029	0.0048
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.029	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0339	0.0717
Schistosoma mansoni	hypothetical protein	0.0074	0.0827	0.1328
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0808	0.058
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0096	0.0208
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0143	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.029	1
Schistosoma mansoni	lamin	0.0087	0.103	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0339	0.0717
Brugia malayi	TAR-binding protein	0.0332	0.4644	1
Brugia malayi	intermediate filament protein	0.0087	0.103	0.2218
Loa Loa (eye worm)	RNA binding protein	0.0332	0.4644	1
Loa Loa (eye worm)	intermediate filament protein	0.0087	0.103	0.2208
Mycobacterium ulcerans	hypothetical protein	0.0037	0.029	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.029	0.5
Schistosoma mansoni	hypothetical protein	0.0072	0.0808	0.1285
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0827	0.1781
Brugia malayi	MH2 domain containing protein	0.0122	0.1539	0.3314
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.029	1
Onchocerca volvulus		0.0037	0.029	0.1688
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0096	0.3186
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0808	0.058
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.133	0.2855
Echinococcus granulosus	intermediate filament protein	0.0087	0.103	0.0807
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.029	0.0872
Echinococcus granulosus	tar DNA binding protein	0.0332	0.4644	0.451
Brugia malayi	hypothetical protein	0.0072	0.0808	0.174
Echinococcus multilocularis	tumor protein p63	0.0694	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0143	1
Echinococcus granulosus	lamin	0.0087	0.103	0.0807
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0808	0.1285
Onchocerca volvulus		0.0037	0.029	0.1688
Loa Loa (eye worm)	beta-lactamase	0.0037	0.029	0.0611
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0096	0.0208
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0243	0.0522
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0332	0.4644	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0143	0.4836
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0143	0.0296
Trichomonas vaginalis	esterase, putative	0.0037	0.029	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.029	1
Echinococcus granulosus	lamin dm0	0.0087	0.103	0.0807
Entamoeba histolytica	hypothetical protein	0.0072	0.0808	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.1539	0.3305
Entamoeba histolytica	hypothetical protein	0.0072	0.0808	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0096	0.3186
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0096	0.3186
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.029	0.0872
Entamoeba histolytica	hypothetical protein	0.0072	0.0808	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0096	0.0278
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.133	0.2865
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.4644	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1241	0.2663
Brugia malayi	RNA recognition motif domain containing protein	0.0332	0.4644	1
Schistosoma mansoni	cellular tumor antigen P53	0.0102	0.1241	0.2269
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.3257	1
Onchocerca volvulus		0.0037	0.029	0.1688
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.029	1
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.4644	1
Leishmania major	hypothetical protein, conserved	0.0037	0.029	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.029	0.0872
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.029	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.133	0.2855
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.029	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0096	0.3186
Brugia malayi	beta-lactamase family protein	0.0037	0.029	0.0624
Onchocerca volvulus		0.0102	0.1241	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0096	0.0195
Onchocerca volvulus		0.0087	0.103	0.8158
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.029	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.029	0.0611
Echinococcus multilocularis	tar DNA binding protein	0.0332	0.4644	0.451
Loa Loa (eye worm)	hypothetical protein	0.0087	0.103	0.2208
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.029	0.0872
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.029	0.0872
Echinococcus multilocularis	musashi	0.0087	0.103	0.0807
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0006	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.029	0.0624
Mycobacterium leprae	Probable lipase LipE	0.0037	0.029	1
Leishmania major	hypothetical protein, conserved	0.0027	0.0143	0.2421
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.029	0.0107
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0243	0.0522
Toxoplasma gondii	ABC1 family protein	0.0037	0.029	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0087	0.103	0.2218
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.4644	1
Brugia malayi	RNA binding protein	0.0332	0.4644	1
Onchocerca volvulus		0.0087	0.103	0.8158
Mycobacterium ulcerans	beta-lactamase	0.0037	0.029	1
Brugia malayi	hypothetical protein	0.0027	0.0143	0.0308
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.029	0.5
Entamoeba histolytica	hypothetical protein	0.0072	0.0808	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0096	0.3186
Brugia malayi	cytoplasmic intermediate filament protein	0.0047	0.0431	0.0927
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.029	0.0872
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0243	0.051
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.029	0.0048
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.4644	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.029	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0037	0.029	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0037	0.029	0.0611
Brugia malayi	beta-lactamase	0.0037	0.029	0.0624
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.029	0.0107
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0047	0.0431	0.0916
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0096	0.3186
Loa Loa (eye worm)	hypothetical protein	0.0037	0.029	0.0611
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0096	0.3186
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0243	0.051
Echinococcus multilocularis	lamin	0.0087	0.103	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0096	0.0195
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0096	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1007	0.2157
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.029	0.0611
Schistosoma mansoni	lamin	0.0087	0.103	0.1789
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0096	0.0195
Mycobacterium ulcerans	lipase LipD	0.0037	0.029	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0827	0.177
Loa Loa (eye worm)	TAR-binding protein	0.0332	0.4644	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0042	0.0362	0.0123
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0096	0.0278
Mycobacterium tuberculosis	Conserved protein	0.0037	0.029	0.0872
Brugia malayi	beta-lactamase family protein	0.0037	0.029	0.0624
Schistosoma mansoni	intermediate filament proteins	0.0087	0.103	0.1789
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.029	0.0872
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0087	0.103	0.2208
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.133	0.2865
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.029	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0362	0.0768

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 764932