TDR Targets

Basic information

Technical information

TDR Targets ID: 668417
Name: ZINC01130866
MW: 427.345 | Formula: C19H20Cl2N2O3S
H donors: 1 H acceptors: 3 LogP: 4.02 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1C)Cl
InChi: 1S/C19H20Cl2N2O3S/c1-13-4-2-3-5-17(13)22-19(24)14-8-10-23(11-9-14)27(25,26)18-12-15(20)6-7-16(18)21/h2-7,12,14H,8-11H2,1H3,(H,22,24)
InChiKey: PWHQWLZNJNFYFJ-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
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0489	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0489	0.1129
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0489	0.1249
Brugia malayi	RNA binding protein	0.0125	0.2501	0.5778
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0392	0.0905
Loa Loa (eye worm)	RNA binding protein	0.0125	0.2501	0.5778
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0489	0.1129
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.004	0.0092
Onchocerca volvulus		0.0031	0.0392	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0263	0.0608
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0274	0.0633
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0274	0.0652
Echinococcus multilocularis	mitogen activated protein kinase	0.0049	0.0799	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0489	0.1129
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0799	0.1337
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0489	0.0574
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0392	0.0905
Brugia malayi	MH2 domain containing protein	0.0123	0.2467	0.57
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0274	0.0633
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2501	0.6847
Schistosoma mansoni	hypothetical protein	0.0175	0.3634	1
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0799	0.1337
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0489	0.0574
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0274	0.0633
Onchocerca volvulus		0.0031	0.0392	0.5483
Schistosoma mansoni	lamin	0.0026	0.0274	0.0652
Schistosoma mansoni	hypothetical protein	0.0034	0.0453	0.115
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0392	0.0905
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0392	0.0905
Echinococcus multilocularis	neuropeptide receptor A26	0.0456	1	1
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	0.4328	0.9282
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.2467	0.57
Schistosoma mansoni	hypothetical protein	0.0175	0.3634	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2501	0.6847
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0489	0.0451
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0489	0.1129
Brugia malayi	Bm-MIF-1, identical	0.0205	0.4328	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2501	0.6847
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0205	0.4328	1
Echinococcus multilocularis	lamin	0.0026	0.0274	0.0235
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0489	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0219	0.4643	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0489	0.0512
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0049	0.0799	0.1241
Trypanosoma brucei	protein kinase, putative	0.0049	0.0799	0.0748
Onchocerca volvulus		0.0036	0.0489	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0453	0.1047
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0489	0.5
Brugia malayi	TAR-binding protein	0.0125	0.2501	0.5778
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0205	0.4328	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0809	0.1869
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.2501	0.5778
Loa Loa (eye worm)	thyroglobulin type-1 repeat family protein	0.0031	0.0392	0.0905
Trypanosoma cruzi	hypothetical protein, conserved	0.0219	0.4643	1
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0205	0.4328	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2501	0.6847
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0489	0.0574
Onchocerca volvulus		0.0036	0.0489	1
Loa Loa (eye worm)	thyroglobulin type-1 repeat family protein	0.0031	0.0392	0.0905
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0049	0.0799	0.1241
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0489	0.0512
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0799	0.1241
Onchocerca volvulus		0.0036	0.0489	1
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.2501	0.2471
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0392	0.0905
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.004	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0274	0.0633
Brugia malayi	intermediate filament protein	0.0026	0.0274	0.0633
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0108	0.2133	0.4929
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	0.4328	0.9282
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0049	0.0799	0.0763
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0489	0.5
Brugia malayi	beta-lactamase	0.0036	0.0489	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0489	0.1129
Echinococcus granulosus	neuropeptide receptor A26	0.0456	1	1
Echinococcus granulosus	intermediate filament protein	0.0026	0.0274	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0489	0.1129
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0489	0.0512
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0489	0.0512
Brugia malayi	beta-lactamase family protein	0.0036	0.0489	0.1129
Loa Loa (eye worm)	hypothetical protein	0.005	0.0809	0.1869
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0489	0.1129
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0489	0.0533
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0799	0.2113
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0809	0.1869
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0809	0.1869
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.4827	1
Plasmodium falciparum	macrophage migration inhibitory factor	0.0205	0.4328	0.5
Mycobacterium ulcerans	lipase LipD	0.0036	0.0489	1
Leishmania major	hypothetical protein, conserved	0.0219	0.4643	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0489	0.0574
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.2501	0.5778
Brugia malayi	secreted modular calcium-binding protein 1	0.0031	0.0392	0.0905
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0799	0.1241
Echinococcus granulosus	citrate lyase subunit beta protein	0.0025	0.0255	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0392	0.0905
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0489	0.0574
Echinococcus granulosus	lamin	0.0026	0.0274	0.0235
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0025	0.0255	0.0216
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0489	0.0451
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0489	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0453	0.1047
Echinococcus granulosus	mitogen activated protein kinase	0.0049	0.0799	0.0763
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0489	0.1129
Echinococcus multilocularis	musashi	0.0026	0.0274	0.0235
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0108	0.2133	0.4929
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0392	0.0905
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0489	0.0512
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0489	0.0533
Echinococcus granulosus	tar DNA binding protein	0.0125	0.2501	0.2471
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0489	0.0512
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0489	0.1249
Echinococcus granulosus	mitogen activated protein kinase 3	0.0049	0.0799	0.0763
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0049	0.0799	0.1241
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0049	0.0799	0.1241
Trypanosoma brucei	hypothetical protein, conserved	0.0219	0.4643	1
Echinococcus granulosus	geminin	0.0175	0.3634	0.3608
Echinococcus multilocularis	neuropeptide s receptor	0.0456	1	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0049	0.0799	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0016	0.004	0.0092
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0799	0.1337
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0489	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.004	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0489	0.1129
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0049	0.0799	0.1847
Schistosoma mansoni	lamin	0.0026	0.0274	0.0652
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0205	0.4328	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0489	0.1129
Echinococcus multilocularis	lamin dm0	0.0026	0.0274	0.0235
Trichomonas vaginalis	conserved hypothetical protein	0.0205	0.4328	1
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0489	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0489	0.0512
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.2501	0.5778
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2501	0.6847
Brugia malayi	MAP kinase sur-1	0.0049	0.0799	0.1847
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0799	0.1337
Onchocerca volvulus		0.0031	0.0392	0.5483
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0489	0.0512
Onchocerca volvulus		0.0031	0.0392	0.5483
Echinococcus multilocularis	geminin	0.0175	0.3634	0.3608
Trichomonas vaginalis	esterase, putative	0.0036	0.0489	0.0574
Echinococcus granulosus	lamin dm0	0.0026	0.0274	0.0235
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0205	0.4328	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0049	0.0799	0.0809
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.2467	0.57
Leishmania major	hypothetical protein, conserved	0.0036	0.0489	0.0533
Giardia lamblia	Macrophage migration inhibitory factor	0.0205	0.4328	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0489	0.0512

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 668417