TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 347.174 | Formula: C12H8Cl2N2O4S
H donors: 1 H acceptors: 4 LogP: 3.53 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cc(cc(c1NS(=O)(=O)c1ccccc1)Cl)[N+](=O)[O-]
InChi: 1S/C12H8Cl2N2O4S/c13-10-6-8(16(17)18)7-11(14)12(10)15-21(19,20)9-4-2-1-3-5-9/h1-7,15H
InChiKey: LGLQWFNMGMIHSZ-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
Leishmania major	p-glycoprotein	0.0047	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0029	0.4206	0.4089
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0047	1	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0029	0.4206	0.4089
Brugia malayi	P-glycoprotein-like protein	0.0017	0.0198	0.0198
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0046	0.9802	0.9802
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0029	0.4206	0.4089
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0017	0.0198	0.5
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.004	0.7622	0.7622
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Echinococcus multilocularis	multidrug resistance protein 1	0.003	0.4523	0.4412
Echinococcus multilocularis	ATP binding cassette sub family B	0.0046	0.9802	0.9798
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Trichomonas vaginalis	abcb9, putative	0.0047	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0029	0.4206	0.4089
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4206	0.4206
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0017	0.0198	0.0198
Brugia malayi	hypothetical protein	0.0017	0.0198	0.0198
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.003	0.4523	0.4523
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0047	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.0029	0.4206	0.4206
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0047	1	1
Schistosoma mansoni	smdr2	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.443	0.57
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Brugia malayi	ABC transporter transmembrane region family protein	0.0017	0.0198	0.0198
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4206	0.4206
Leishmania major	pentamidine resistance protein 1	0.0029	0.4206	0.4089
Entamoeba histolytica	P-glycoprotein-5	0.0047	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.4206	1
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0047	1	1
Leishmania major	p-glycoprotein e	0.0029	0.4206	0.4089
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0029	0.4206	0.4089
Entamoeba histolytica	hypothetical protein	0.0029	0.4206	0.4206
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.4431	0.5702
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0047	1	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0047	1	1
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Plasmodium falciparum	multidrug resistance protein 1	0.0047	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0047	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.4206	0.4089
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.004	0.7622	0.7622
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0047	1	1
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.004	0.7622	0.7622
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.004	0.7622	0.7574
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0047	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.003	0.4523	0.4523
Echinococcus multilocularis	multidrug resistance protein 1	0.0047	1	1
Entamoeba histolytica	P-glycoprotein-1	0.0047	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0017	0.0198	0.5
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.004	0.7622	0.7622
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Loa Loa (eye worm)	multidrug resistance protein 3	0.0047	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Brugia malayi	ABC transporter family protein	0.0047	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0017	0.0198	0.0198
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.004	0.7622	1
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4206	0.4206
Schistosoma mansoni	multidrug resistance protein	0.0047	1	1
Schistosoma mansoni	multidrug resistance protein	0.0017	0.0198	0.0198
Echinococcus granulosus	multidrug resistance protein 1	0.0047	1	1
Onchocerca volvulus		0.0047	1	0.5
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4206	0.4206
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4206	0.4206
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0029	0.4206	0.5399
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4008	0.4008
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0029	0.4206	0.5399
Entamoeba histolytica	multidrug resistance protein, putative	0.0029	0.4206	0.4206
Trypanosoma brucei	trans-sialidase	0.003	0.4431	0.5702
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0029	0.4206	0.5399
Entamoeba histolytica	P-glycoprotein-2	0.0047	1	1
Brugia malayi	multidrug resistance related protein 1	0.0029	0.4206	0.4206
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4206	0.4206
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.004	0.7622	0.7574
Trypanosoma brucei	multidrug resistance protein E	0.0029	0.4206	0.5399
Echinococcus granulosus	multidrug resistance associated protein 7	0.0029	0.4206	0.4206
Trypanosoma brucei	p-glycoprotein	0.0029	0.4206	0.5399
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0047	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.004	0.7622	0.7622
Trichomonas vaginalis	ABC transporter, putative	0.0047	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0017	0.0198	0.5
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.004	0.7622	0.7622
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Brugia malayi	ABC transporter	0.0017	0.0198	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0017	0.0198	0.5
Giardia lamblia	MRP-like ABC transporter	0.0029	0.4206	1
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0029	0.4206	0.4089
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0198	0.0198
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Entamoeba histolytica	ABC transporter, putative	0.0029	0.4206	0.4206
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0047	1	1
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0029	0.4206	0.4206
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.004	0.7622	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0047	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0047	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.003	0.4523	0.4523
Giardia lamblia	ABC transporter, putative	0.0029	0.4206	1
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Schistosoma mansoni	multidrug resistance protein	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.4431	0.5702
Brugia malayi	ABC transporter transmembrane region family protein	0.0029	0.4206	0.4206
Entamoeba histolytica	P-glycoprotein-2	0.0047	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4206	0.4206
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0047	1	1
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.004	0.7622	0.7574
Entamoeba histolytica	P-glyco protein 6, putative	0.0047	1	1
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.004	0.7622	0.7622
Echinococcus granulosus	multidrug resistance protein 1	0.0047	1	1
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.004	0.7622	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0029	0.4206	0.5399
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.4431	0.5702
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.004	0.7622	0.7622
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.443	0.57
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0047	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.004	0.7622	0.7574
Trichomonas vaginalis	ABC transporter, putative	0.0047	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0047	1	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0047	1	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.4206	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0029	0.4206	0.5399
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Entamoeba histolytica	P-glycoprotein 6, putative	0.0017	0.0198	0.0198
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.4008	0.953
Loa Loa (eye worm)	hypothetical protein	0.0047	1	1
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0017	0.0198	0.0198
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4206	0.4206
Trichomonas vaginalis	taga, putative	0.0047	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.004	0.7622	0.7574
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4206	0.4206
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.443	0.57
Entamoeba histolytica	P-glycoprotein 6, putative	0.0017	0.0198	0.0198
Schistosoma mansoni	multidrug resistance protein	0.0047	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.9802	0.9802
Echinococcus granulosus	ATP binding cassette sub family B	0.0017	0.0198	0.0198
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.443	0.57
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.004	0.7622	0.7622
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Schistosoma mansoni	smdr1	0.0017	0.0198	0.0198
Echinococcus multilocularis	multidrug resistance protein 1	0.0047	1	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0047	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0017	0.0198	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0198	0.0198
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4206	0.4206
Leishmania major	ABC-thiol transporter	0.0029	0.4206	0.4089
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Trichomonas vaginalis	abcb9, putative	0.0047	1	1
Trichomonas vaginalis	abcb9, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0017	0.0198	0.5

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

ChEMBL: CHEMBL2285844

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1805998