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

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0029	0.4206	0.5399
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.003	0.4523	0.4523
Trypanosoma brucei	trans-sialidase	0.003	0.4431	0.5702
Loa Loa (eye worm)	multidrug resistance protein 3	0.0047	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0029	0.4206	0.5399
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Entamoeba histolytica	hypothetical protein	0.0029	0.4206	0.4206
Entamoeba histolytica	P-glycoprotein-2	0.0047	1	1
Entamoeba histolytica	P-glycoprotein 6, putative	0.0017	0.0198	0.0198
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0047	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.003	0.4523	0.4523
Brugia malayi	ABC transporter family protein	0.0047	1	1
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4206	0.4206
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4206	0.4206
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.004	0.7622	0.7622
Schistosoma mansoni	multidrug resistance protein	0.0047	1	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0017	0.0198	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0046	0.9802	0.9802
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4008	0.4008
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0047	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.004	0.7622	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Leishmania major	ABC-thiol transporter	0.0029	0.4206	0.4089
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0047	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
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
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.004	0.7622	0.7574
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0017	0.0198	0.5
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0029	0.4206	0.4206
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0017	0.0198	0.0198
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.004	0.7622	0.7574
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Echinococcus granulosus	multidrug resistance protein 1	0.0047	1	1
Schistosoma mansoni	smdr2	0.0047	1	1
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0017	0.0198	0.5
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.4008	0.953
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.4431	0.5702
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0029	0.4206	0.4089
Echinococcus granulosus	ATP binding cassette sub family B	0.0017	0.0198	0.0198
Schistosoma mansoni	multidrug resistance protein	0.0047	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4206	0.4206
Giardia lamblia	ABC transporter, putative	0.0029	0.4206	1
Onchocerca volvulus		0.0047	1	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0047	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Trichomonas vaginalis	abcb9, putative	0.0047	1	1
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0017	0.0198	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.004	0.7622	0.7622
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.004	0.7622	0.7622
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4206	0.4206
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0017	0.0198	0.5
Echinococcus granulosus	multidrug resistance associated protein 7	0.0029	0.4206	0.4206
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4206	0.4206
Entamoeba histolytica	P-glyco protein 6, putative	0.0047	1	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0046	0.9802	0.9798
Schistosoma mansoni	multidrug resistance protein	0.0017	0.0198	0.0198
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.004	0.7622	0.7622
Brugia malayi	ABC transporter	0.0017	0.0198	0.0198
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0047	1	1
Schistosoma mansoni	multidrug resistance protein	0.0047	1	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0029	0.4206	0.4089
Echinococcus granulosus	multidrug resistance protein 1	0.003	0.4523	0.4523
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Giardia lamblia	MRP-like ABC transporter	0.0029	0.4206	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.4206	0.4206
Trichomonas vaginalis	abcb9, putative	0.0047	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0029	0.4206	0.5399
Leishmania major	p-glycoprotein	0.0047	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.004	0.7622	1
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0029	0.4206	0.4089
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0047	1	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
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.004	0.7622	0.7622
Brugia malayi	ABC transporter transmembrane region family protein	0.0029	0.4206	0.4206
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.443	0.57
Entamoeba histolytica	P-glycoprotein 5, putative	0.0047	1	1
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Echinococcus multilocularis	multidrug resistance protein 1	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.4431	0.5702
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Trichomonas vaginalis	abcb9, putative	0.0047	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0047	1	1
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.004	0.7622	1
Entamoeba histolytica	P-glycoprotein-1	0.0047	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Loa Loa (eye worm)	ABC transporter	0.0017	0.0198	0.0198
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.004	0.7622	0.7574
Leishmania major	p-glycoprotein e	0.0029	0.4206	0.4089
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.4206	1
Trypanosoma brucei	multidrug resistance protein E	0.0029	0.4206	0.5399
Trichomonas vaginalis	taga, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Leishmania major	pentamidine resistance protein 1	0.0029	0.4206	0.4089
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Brugia malayi	P-glycoprotein-like protein	0.0017	0.0198	0.0198
Echinococcus granulosus	multidrug resistance protein 1	0.0047	1	1
Trypanosoma brucei	p-glycoprotein	0.0029	0.4206	0.5399
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0029	0.4206	0.4089
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0029	0.4206	0.4089
Echinococcus multilocularis	multidrug resistance protein 1	0.0047	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0047	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.4431	0.5702
Echinococcus multilocularis	multidrug resistance protein 1	0.003	0.4523	0.4412
Entamoeba histolytica	P-glycoprotein-5	0.0047	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0198	0.0198
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.004	0.7622	0.7622
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.4206	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.4206	0.4089
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0029	0.4206	0.4089
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0047	1	1
Schistosoma mansoni	smdr1	0.0017	0.0198	0.0198
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.443	0.57
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0047	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0198	0.0198
Entamoeba histolytica	ABC transporter, putative	0.0029	0.4206	0.4206
Trichomonas vaginalis	ABC transporter, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.443	0.57
Plasmodium falciparum	multidrug resistance protein 1	0.0047	1	1
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4206	0.4206
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0017	0.0198	0.0198
Echinococcus granulosus	multidrug resistance protein 1	0.0047	1	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0047	1	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0047	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0047	1	1
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0047	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	1	1
Schistosoma mansoni	multidrug resistance protein	0.0029	0.4206	0.4206
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0047	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0017	0.0198	0.5
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0046	0.9802	0.9802
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.004	0.7622	0.7574
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0047	1	1
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0017	0.0198	0.0198
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Brugia malayi	multidrug resistance related protein 1	0.0029	0.4206	0.4206
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4206	0.4206
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.004	0.7622	0.7622
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.443	0.57
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.004	0.7622	0.7622
Echinococcus granulosus	multidrug resistance associated protein 1	0.0029	0.4206	0.4206
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0017	0.0198	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0047	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4206	0.4206
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.004	0.7622	0.7574
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0198	0.5
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.4431	0.5702
Entamoeba histolytica	multidrug resistance protein, putative	0.0029	0.4206	0.4206
Entamoeba histolytica	P-glycoprotein-2	0.0047	1	1
Brugia malayi	hypothetical protein	0.0017	0.0198	0.0198
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0047	1	1
Brugia malayi	ABC transporter family protein	0.0017	0.0198	0.0198
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702
Entamoeba histolytica	P-glycoprotein 6, putative	0.0017	0.0198	0.0198
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0047	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0047	1	1
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.004	0.7622	0.7622
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0029	0.4206	0.5399
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0047	1	1
Trypanosoma brucei	trans-sialidase, putative	0.003	0.4431	0.5702

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