TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 301.339 | Formula: C11H11NO5S2
H donors: 2 H acceptors: 4 LogP: 1.85 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1oc(c(c1S(=O)(=O)Nc1cccs1)C(=O)O)C
InChi: 1S/C11H11NO5S2/c1-6-9(11(13)14)10(7(2)17-6)19(15,16)12-8-4-3-5-18-8/h3-5,12H,1-2H3,(H,13,14)
InChiKey: BSKLZAJYYTUMBV-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
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0019	0.0387	0.0945
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0004	0.0001	0.5
Trypanosoma brucei	multidrug resistance protein E	0.0014	0.0264	1
Loa Loa (eye worm)	PXA domain-containing protein	0.0019	0.0387	0.0945
Trypanosoma brucei	p-glycoprotein	0.0014	0.0264	1
Schistosoma mansoni	multidrug resistance protein	0.0014	0.0264	0.0263
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0387	0.0385
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0004	0.0001	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0387	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.1923
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0019	0.0387	0.6207
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0387	0.0385
Trypanosoma cruzi	hypothetical protein	0.0011	0.0183	0.6908
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0004	0.0001	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0387	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0014	0.0264	1
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0011	0.0183	0.0182
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0004	0.0001	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0015	0.0014
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0074	0.1923
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.009	0.0089
Loa Loa (eye worm)	hypothetical protein	0.017	0.4081	1
Echinococcus multilocularis	regulator of G protein signaling	0.0019	0.0387	0.0385
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0387	0.0385
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0019	0.0387	0.0945
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0133	0.0132
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0019	0.0387	0.0385
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0019	0.0387	0.0385
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0019	0.0387	1
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0387	0.0385
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0387	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0004	0.0001	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0004	0.0001	0.5
Onchocerca volvulus		0.0029	0.0622	0.5
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0387	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0387	1
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0387	0.0385
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0472	0.7578
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0387	0.0385
Entamoeba histolytica	hypothetical protein	0.0019	0.0387	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923
Loa Loa (eye worm)	RGS-3 protein	0.0019	0.0387	0.0945
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0004	0.0001	0.5
Echinococcus multilocularis	dnaJ subfamily B	0.0413	1	1
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0387	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0387	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0074	0.1923
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0004	0.0001	0.5
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0014	0.0264	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0472	0.1153
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0622	1
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0004	0.0001	0.5
Trichomonas vaginalis	helicase, putative	0.0007	0.0074	0.1923
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0387	0.0385
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.1416	0.1415
Giardia lamblia	Multidrug resistance-associated protein 1	0.0014	0.0264	1
Mycobacterium leprae	putative cytochrome p450	0.0004	0.0001	0.5
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0387	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0004	0.0001	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0004	0.0001	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0387	0.0385
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0004	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0004	0.0001	0.5
Leishmania major	ABC-thiol transporter	0.0014	0.0264	1
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0133	0.0323
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0004	0.0001	0.5
Echinococcus granulosus	multidrug resistance associated protein 1	0.0014	0.0264	0.0263
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0004	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.017	0.4081	1
Schistosoma mansoni	hypothetical protein	0.0413	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0004	0.0001	0.5
Echinococcus granulosus	expressed protein	0.0376	0.9118	0.9118
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0387	0.0385
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0622	0.1522
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0004	0.0001	0.5
Echinococcus granulosus	multidrug resistance associated protein 4	0.0011	0.0183	0.0182
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923
Leishmania major	pentamidine resistance protein 1	0.0014	0.0264	1
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.017	0.4081	1
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0004	0.0001	0.5
Leishmania major	p-glycoprotein e	0.0014	0.0264	1
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0019	0.0387	0.0385
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0387	0.0385
Toxoplasma gondii	hypothetical protein	0.017	0.4081	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0387	0.0385
Giardia lamblia	Multidrug resistance-associated protein 1	0.0014	0.0264	1
Echinococcus multilocularis	expressed protein	0.0376	0.9118	0.9118
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0261	0.0638
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0387	1
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0019	0.0387	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0387	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0387	0.0945
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0004	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0004	0.0001	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0387	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0264	0.0645
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0004	0.0001	0.5
Brugia malayi	multidrug resistance related protein 1	0.0014	0.0264	0.4238
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0004	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0004	0.0001	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0004	0.0001	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.1923
Brugia malayi	A-kinase anchor protein 10, precursor	0.0019	0.0387	0.6207
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0387	0.0945
Giardia lamblia	ABC transporter, putative	0.0014	0.0264	1
Echinococcus multilocularis	cpg binding protein	0.0031	0.0662	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0387	0.0945
Schistosoma mansoni	multidrug resistance protein	0.0014	0.0264	0.0263
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0133	0.0132
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0387	0.0385
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0014	0.0264	1
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0387	0.0385
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0004	0.0001	0.5
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0387	0.6207
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0014	0.0264	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0264	0.0645
Schistosoma mansoni	cpg binding protein	0.0031	0.0662	0.0661
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0014	0.0264	0.0645
Brugia malayi	PXA domain containing protein	0.0019	0.0387	0.6207
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0004	0.0001	0.5
Entamoeba histolytica	hypothetical protein	0.0019	0.0387	1
Giardia lamblia	MRP-like ABC transporter	0.0014	0.0264	1
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0004	0.0001	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.0662	0.0661
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.009	0.0089
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0004	0.0001	0.5
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.1256	0.3075
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.009	0.0089
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0014	0.0264	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0004	0.0001	0.5
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0011	0.0186	0.0452
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0014	0.0264	1
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0004	0.0001	0.5
Entamoeba histolytica	hypothetical protein	0.0019	0.0387	1
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0387	0.6207
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0387	0.0945
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0387	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0004	0.0001	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0004	0.0001	0.5
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.013	0.2078
Schistosoma mansoni	multidrug resistance protein	0.0014	0.0264	0.0263
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0387	0.0385
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.009	0.0089
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.1923
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0387	0.0945
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0004	0.0001	0.5
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0387	0.0385
Brugia malayi	regulator of G-protein signaling rgs-7	0.0019	0.0387	0.6207
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0014	0.0264	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0004	0.0001	0.5
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0014	0.0264	0.0645
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.1923
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0019	0.0387	0.0385
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0004	0.0001	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.1923
Schistosoma mansoni	cpg binding protein	0.0029	0.0622	0.0621
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0014	0.0264	1
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0014	0.0264	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.4081	1
Brugia malayi	hypothetical protein	0.0019	0.0387	0.6207
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0387	0.0385
Echinococcus granulosus	Regulator of G protein signaling 20	0.0019	0.0387	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0004	0.0001	0.5
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0387	0.0385
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0387	0.6207
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923
Schistosoma mansoni	multidrug resistance protein	0.0014	0.0264	0.0263
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0004	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0387	0.0945
Brugia malayi	PXA domain containing protein	0.0019	0.0387	0.6207
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0004	0.0001	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0014	0.0264	1
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0387	0.0385
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0004	0.0001	0.5
Echinococcus granulosus	multidrug resistance associated protein 7	0.0014	0.0264	0.0263
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0387	0.0385
Echinococcus granulosus	cpg binding protein	0.0031	0.0662	0.0661
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.1923
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0004	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0004	0.0001	0.5
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0019	0.0387	0.0385
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0014	0.0264	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0387	0.0945
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923
Brugia malayi	ABC transporter transmembrane region family protein	0.0014	0.0264	0.4238
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0004	0.0001	0.5
Brugia malayi	hypothetical protein	0.0019	0.0387	0.6207
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.009	0.0089
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.1923

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 64 uM	Inhibitory constant against beta-lactamase AmpC from Escherichia coli	ChEMBL.	15916423
Ki (binding)	= 64 uM	Inhibitory constant against beta-lactamase AmpC from Escherichia coli	ChEMBL.	15916423

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 337804